Triacetin
fo-f5c2210b57f468d5
Identity
- Type
- Neutral molecule
- CAS
- 102-76-1
- EC
- 203-051-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
36- 1,2,3-Propanetriol triacetate
- 1,2,3-Propanetriol, 1,2,3-triacetate
- 1,2,3-Propanetriol, triacetate
- 1,2,3-Propanetriyl triacetate
- 1,2,3-triacetoxypropane
- 1,2,3-triacetylglycerol
- 1,3-Bis(acetyloxy)propan-2-yl acetate
- 106C
- 2,3-Diacetyloxypropyl acetate
- 2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate
- Acetin, tri-
- E1518
- Edenor GTA
- Edenor GTA Kosher
- Enzactin
- Fungacetin
- glycerin triacetate
- Glycerol triacetate
- Glyceryl triacetate
- Glyped
- GTA
- Kesscoflex TRA
- Kollisolv GTA
- MeSH ID: D014215
- Propane-1,2,3-triyl Triacetate
- Speziol GTA
- Triacetain glycerol
- triacetina
- triacetine
- triacetinum
- Triacetyl glycerin
- Triacetyl glycerine
- Triacetylglycerin
- Triacetylglycerol
- Ujostabil
- Vanay
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | URAYPUMNDPQOKB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | Triacetin |
| Molecular formula chemrof:molecular_formula | C9H14O6 |
| Molecular mass chemrof:molecular_mass | 218.205 |
| Monoisotopic mass chemrof:monoisotopic_mass | 218.079038, 218.07904 |
| SMILES string chemrof:smiles_string | CC(=O)OCC(COC(C)=O)OC(C)=O |
Known URLs
33Where 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=102-76-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9661 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.211.906 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1203 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3026691 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB16005 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:3624 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/3624 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4796 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757364 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1489254 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/tri-acetin | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G52284HH | enrich_references.pubchem_identifier_url |
| gnome.glyomics.org | https://gnome.glyomics.org/StructureBrowser.html?focus=G52284HH | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XHX3C3X673 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0029592 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.010E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D00384 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/D00384 | enrich_references.pubchem_identifier_url |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMGL03012615 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMGL03012615 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=8970 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C82268 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1489254 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5541 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/14555416 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23293041 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23996800 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24574778 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1792353 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/10756 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q83253 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Triacetin | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6b9c84f0-9ecc-4683-a573-df26138d255f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 6aa1a198-4df9-4dbf-8867-0f22dc711eed | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 1f136686-4ff2-4b81-ae6d-b9ea9015b3f8 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 574a8c98-26aa-4269-bc6a-a19f41fa6495 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5ac1e724-36c1-484b-845d-3c57de039829 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 9a501613-99ba-450a-839c-c5afe37c1858 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a4166d8d-dc08-4bb2-9575-7ca6d66b8f71 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 2b56d67d-1717-44ea-b680-82bffd4550fe | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| ac9f940a-6a53-4d7e-af27-347db9920956 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a73b59-85aa-4242-b13c-52ab5d10ff77 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 621d1d20-7df9-4dbf-b7c4-ce52ba4cebc7 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 325db507-5c25-4f27-91c7-eb8475be3b85 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a7b7446b-ba79-494d-b242-5221ca0e79ce | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
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{
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{
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{
"@value": "Acetin, tri-",
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{
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},
{
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}
},
{
"@value": "Enzactin",
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{
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},
{
"@value": "glycerin triacetate",
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{
"@value": "Glycerol triacetate",
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{
"@value": "Glyceryl triacetate",
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},
{
"@value": "Glyped",
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}
},
{
"@value": "GTA",
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},
{
"@value": "Kesscoflex TRA",
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},
{
"@value": "Kollisolv GTA",
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},
{
"@value": "MeSH ID: D014215",
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}
},
{
"@value": "Propane-1,2,3-triyl Triacetate",
"@language": "en",
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},
{
"@value": "Speziol GTA",
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},
{
"@value": "Triacetain glycerol",
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},
{
"@value": "triacetina",
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{
"@value": "triacetine",
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},
{
"@value": "triacetinum",
"@language": "en",
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},
{
"@value": "Triacetyl glycerin",
"@language": "en",
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},
{
"@value": "Triacetyl glycerine",
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},
{
"@value": "Triacetylglycerin",
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},
{
"@value": "Triacetylglycerol",
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},
{
"@value": "Ujostabil",
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"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,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_9661"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@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