1,1'-[methylenebis(oxy)]diethane
fo-d53114378c256875
Identity
- Type
- Neutral molecule
- CAS
- 462-95-3
- EC
- 207-330-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
11- (Ethoxymethoxy)ethane
- 1,1-Diethoxymethane
- 1,1′-[Methylenebis(oxy)]bis[ethane]
- 3,5-Dioxaheptane
- Diethoxymethane
- Diethylformal
- Ethane, 1,1′-[methylenebis(oxy)]bis-
- Ethoxymethyl ethyl ether
- Ethylal
- Formaldehyde diethyl acetal
- Methane, diethoxy-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KLKFAASOGCDTDT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 1,1'-[methylenebis(oxy)]diethane |
| Molecular formula chemrof:molecular_formula | C5H12O2 |
| Molecular mass chemrof:molecular_mass | 104.149 |
| Monoisotopic mass chemrof:monoisotopic_mass | 104.08373 |
| SMILES string chemrof:smiles_string | CCOCOCC |
Known URLs
9Where 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=462-95-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.006.665 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6052112 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6754 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/56IT408V5Y | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.772J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10024 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2373 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q10426203 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e546f8c6-c83e-4f3b-8599-c67a009b0d71 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 51f5ef77-7bb1-46f4-8482-76ee19467d82 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 5dce0e83-0a7b-44bd-8b6d-1134daa08eee | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| fbcc6240-fbb9-4d49-ac7c-6e00a831c21f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6a716dc0-4403-43ef-bb4b-8682a1d60434 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 65806bc3-e8bd-418c-920e-a95585e9cf93 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 7ecd2b49-04ac-48be-9bdc-1eb4a6ed7c59 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| bb9f1d35-6724-45b2-9090-49e95cfd975f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 9ff69d91-8e3f-42df-88b7-49dce1685ce5 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6cf5c161-42e2-4e62-95ea-b6dab2ea984e | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ba7d1595-e780-4883-9ca0-58831f1a5f82 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 0152a6c4-2703-41e7-82de-4e1ea27e1b3a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 029a7945-c651-44f4-858c-d47ea29cd44e | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-d53114378c256875",
"prefLabel": [
{
"@value": "1,1'-[methylenebis(oxy)]diethane",
"@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": "(Ethoxymethoxy)ethane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1-Diethoxymethane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,1′-[Methylenebis(oxy)]bis[ethane]",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3,5-Dioxaheptane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diethoxymethane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diethylformal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethane, 1,1′-[methylenebis(oxy)]bis-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethoxymethyl ethyl ether",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Formaldehyde diethyl acetal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methane, diethoxy-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:462-95-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C5H12O2"
],
"attested_by": {
"C5H12O2": [
"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:10024"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOCOCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KLKFAASOGCDTDT-UHFFFAOYSA-N"
],
"attested_by": {
"KLKFAASOGCDTDT-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:10024"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOCOCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCOCOCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1'-[methylenebis(oxy)]diethane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOCOCC"
]
}
],
"attested_by": {
"CCOCOCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1'-[methylenebis(oxy)]diethane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOCOCC"
]
}
],
"attested_by": {
"InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,1'-[methylenebis(oxy)]diethane"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,1'-[methylenebis(oxy)]diethane"
]
},
"attested_by": {
"1,1'-[methylenebis(oxy)]diethane": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
104.149
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOCOCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOCOCC"
]
}
],
"attested_by": {
"104.149": [
"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": [
104.08373
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOCOCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCOCOCC"
]
}
],
"attested_by": {
"104.08373": [
"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=J5.772J",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10024;CAS:462-95-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[462-95-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.006.665",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10024;CAS:462-95-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[462-95-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=462-95-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"462-95-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID6052112",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10024;CAS:462-95-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[462-95-3]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6754",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10024;CAS:462-95-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[462-95-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/56IT408V5Y",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10024;CAS:462-95-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[462-95-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/10024",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10024;CAS:462-95-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[462-95-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2373",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10024;CAS:462-95-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[462-95-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q10426203",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:10024;CAS:462-95-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[462-95-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0152a6c4-2703-41e7-82de-4e1ea27e1b3a",
"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": [
"462-95-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=462-95-3"
}
],
"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": [
"207-330-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=207-330-6"
],
"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