Fatty Acids, C16-18 (even Numbered), Esters With Ethylene Glycol
fo-c308c12de8e91811
Identity
- Type
- Neutral molecule
- CAS
- 91031-31-1
- EC
- 292-932-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
1- Fatty acids, C16-18, esters with ethylene glycol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ORMITEZVQRRABL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C36H70O5/c1-2-3-4-5-6-7-8-12-15-18-21-24-27-30-35(38)40-33-29-26-23-20-17-14-11-9-10-13-16-19-22-25-28-31-36(39)41-34-32-37/h37H,2-34H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 18-(1-oxohexadecoxy)octadecanoic acid 2-hydroxyethyl ester, 18-hexadecanoyloxystearic acid 2-hydroxyethyl ester, 2-hydroxyethyl 18-hexadecanoyloxyoctadecanoate |
| Molecular formula chemrof:molecular_formula | C36H70O5 |
| Molecular mass chemrof:molecular_mass | 582.951 |
| Monoisotopic mass chemrof:monoisotopic_mass | 582.522325 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC(=O)OCCO |
Known URLs
2Where 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=91031-31-1 | enrich_references.consensus_cas_link |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/129560847 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| cbbbb05b-bb60-4e6e-9dca-bd69f4b3235f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| c84db453-8477-4b92-893d-886a28b54407 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e0d0d050-1c2b-4658-b732-38b6a072124a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f4abdc83-f3ad-480c-98bc-05bf0e07f2ad | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 16e8c992-94a9-4f76-8cae-40e1144b9611 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 1dc3711a-ac10-411a-bbe2-33e9470c4e31 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1b14e83f-e610-4d45-83d2-7c42a50ac634 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 933ecc5d-a8a3-43aa-8e86-5742c647c456 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8a8003f2-2875-4f65-987f-da8cbfdf3fe4 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 71f364a8-02d3-4412-bebf-7bf8b3ff18de | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 04cd2946-8bfc-4069-9c76-0fa1972d18c9 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| d7a19078-9542-4520-b067-29ed3be62db6 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| d3451275-c758-4270-9810-34569280e54c | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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}Something wrong here?
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- This is not that chemical
- This record is two substances, or it is a second copy of one
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