2,2-dimethyl-1,3-dioxolan-4-ylmethanol
fo-8d8f7f810382105d
Identity
- Type
- Neutral molecule
- CAS
- 100-79-8
- EC
- 202-888-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
48- (2,2-Dimethyl-[1,3]-dioxolan-4-yl)methanol
- (4RS)-2,2-Dimethyl-1,3-dioxolane-4-methanol
- (RS)-Solketal
- (±)-1,2-O-Isopropylideneglycerol
- (±)-2,2-Dimethyl-1,3-dioxolane-4-methanol
- (±)-Glycerol 1,2-acetonide
- 1,2-Isopropylideneglycerin
- 1,2-Isopropylideneglycerol
- 1,2-O,O-Isopropylideneglycerin
- 1,2-O-Isopropylidene-rac-glycerol
- 1,2-O-Isopropylideneglycerol
- 1,3-Dioxolane-4-methanol, 2,2-dimethyl-
- 2,2-Dimethyl-1,3-dioxolan-4-methanol
- 2,2-Dimethyl-1,3-dioxolane-4-methanol
- 2,2-Dimethyl-1,3-dioxolane-5-methanol
- 2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolan
- 2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane
- 2,2-Dimethyl-4-hydroxymethyldioxolane
- 2,2-Dimethyl-5-hydroxymethyl-1,3-dioxolane
- 2,2-Dimethyldioxolane-4-methanol
- 2,3-(Isopropylidenedioxy)propanol
- 2,3-Isopropylideneglycerol
- 2,3-O-Isopropylideneglycerol
- 2-Dimethyl-4-oxymethyl-1,3-dioxolane
- 4-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolane
- Acetone glycerin ketal
- Acetone glyceryl acetal
- Acetone monoglycerol ketal
- Augeo Clean Multi
- Augeo MC
- Augeo SF 191
- Augeo SL 191
- DL-1,2-Isopropylidene glycerol
- DL-1,2-Isopropylideneglycerol
- DL-Isopropylideneglycerol
- GIE
- Glycerin acetone ketal
- Glycerin isopropylidene ether
- Glycerol acetonide
- Glycerol dimethylketal
- Glycerol α,β-isopropylidene ether
- Glycerolacetone
- Isopropylidene glycerol
- Isopropylideneglycerin
- Racemic solketal
- Solketal
- Solketol
- α,β-Isopropylideneglycerol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | RNVYQYLELCKWAN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2,2-dimethyl-1,3-dioxolan-4-ylmethanol |
| Molecular formula chemrof:molecular_formula | C6H12O3 |
| Molecular mass chemrof:molecular_mass | 132.159 |
| Monoisotopic mass chemrof:monoisotopic_mass | 132.078644 |
| SMILES string chemrof:smiles_string | CC1(C)OCC(CO)O1 |
Known URLs
13Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=100-79-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.626 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0790 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9021845 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59720 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3342436 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3XK098O8ZW | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0258367 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.693H | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=131398 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7528 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q2968854 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Solketal | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c77c41d0-18c1-4d29-bd46-91bb89b16446 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 53a0cdf8-2536-4fbc-84f1-ec3527b405d8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8cbd2f04-69a6-45cc-b7e3-602e3e1bd69b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 65b4e488-0a71-4283-99f4-b6ffc70de86c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a3aa4629-7da2-4ce7-9fbd-43f24c062284 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| da275fc3-0137-43eb-8c1a-c73c73c12d24 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| c0d80063-7f16-4b91-832d-0bf0f6375802 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 71fd0e34-cae4-4219-8cbc-86a59221ce7c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| b0e62da2-da22-4e39-871b-07bd08039b6c | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| b73063ec-9138-4ac1-9398-9f388cf224ff | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 267d2015-a18b-4d5a-9e9e-1de1071a0cf2 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ca88b11b-f9f4-451b-9cb4-75c442a5ea15 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 60149f7e-dbcc-4156-a612-aa3670c1eaf8 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-8d8f7f810382105d",
"prefLabel": [
{
"@value": "2,2-dimethyl-1,3-dioxolan-4-ylmethanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "(2,2-Dimethyl-[1,3]-dioxolan-4-yl)methanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(4RS)-2,2-Dimethyl-1,3-dioxolane-4-methanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(RS)-Solketal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(±)-1,2-O-Isopropylideneglycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(±)-2,2-Dimethyl-1,3-dioxolane-4-methanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(±)-Glycerol 1,2-acetonide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,2-Isopropylideneglycerin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,2-Isopropylideneglycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,2-O,O-Isopropylideneglycerin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,2-O-Isopropylidene-rac-glycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,2-O-Isopropylideneglycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3-Dioxolane-4-methanol, 2,2-dimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethyl-1,3-dioxolan-4-methanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethyl-1,3-dioxolane-4-methanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethyl-1,3-dioxolane-5-methanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolan",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethyl-4-hydroxymethyldioxolane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethyl-5-hydroxymethyl-1,3-dioxolane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,2-Dimethyldioxolane-4-methanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,3-(Isopropylidenedioxy)propanol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,3-Isopropylideneglycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,3-O-Isopropylideneglycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Dimethyl-4-oxymethyl-1,3-dioxolane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetone glycerin ketal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetone glyceryl acetal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Acetone monoglycerol ketal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Augeo Clean Multi",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Augeo MC",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Augeo SF 191",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Augeo SL 191",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DL-1,2-Isopropylidene glycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DL-1,2-Isopropylideneglycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "DL-Isopropylideneglycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "GIE",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycerin acetone ketal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycerin isopropylidene ether",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycerol acetonide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycerol dimethylketal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycerol α,β-isopropylidene ether",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glycerolacetone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isopropylidene glycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isopropylideneglycerin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Racemic solketal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Solketal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Solketol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α,β-Isopropylideneglycerol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:100-79-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H12O3"
],
"attested_by": {
"C6H12O3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1(C)OCC(CO)O1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"RNVYQYLELCKWAN-UHFFFAOYSA-N"
],
"attested_by": {
"RNVYQYLELCKWAN-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1(C)OCC(CO)O1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC1(C)OCC(CO)O1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2-dimethyl-1,3-dioxolan-4-ylmethanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1(C)OCC(CO)O1"
]
}
],
"attested_by": {
"CC1(C)OCC(CO)O1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2-dimethyl-1,3-dioxolan-4-ylmethanol"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1(C)OCC(CO)O1"
]
}
],
"attested_by": {
"InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,2-dimethyl-1,3-dioxolan-4-ylmethanol"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,2-dimethyl-1,3-dioxolan-4-ylmethanol"
]
},
"attested_by": {
"2,2-dimethyl-1,3-dioxolan-4-ylmethanol": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
132.159
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1(OCC(O1)CO)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1(C)OCC(CO)O1"
]
}
],
"attested_by": {
"132.159": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
132.078644
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1(OCC(O1)CO)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1(C)OCC(CO)O1"
]
}
],
"attested_by": {
"132.078644": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.693H",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.002.626",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0790",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=100-79-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"100-79-8"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID9021845",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59720",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/Solketal",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3XK098O8ZW",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0258367",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7528",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[100-79-8]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3342436",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=131398",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q2968854",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7528;CAS:100-79-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[100-79-8]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "267d2015-a18b-4d5a-9e9e-1de1071a0cf2",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"100-79-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=100-79-8"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"202-888-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-888-7"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works