Fatty Acids, C5-9, Tetraesters With 2,2-bis(hydroxymethyl)1,3-propanediol
fo-f70bcfeb69c57932
Identity
- Type
- Neutral molecule
- CAS
- 67762-53-2
- EC
- 267-022-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
2- Carboxylic acids, C5-9, tetraesters with pentaerythritol
- Fatty acids, C5-9, tetraesters with pentaerythritol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | PIZFEKJNYKNABG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C33H68O4/c1-5-9-13-17-21-25-34-29-33(30-35-26-22-18-14-10-6-2,31-36-27-23-19-15-11-7-3)32-37-28-24-20-16-12-8-4/h5-32H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 1-[3-heptoxy-2,2-bis(heptoxymethyl)propoxy]heptane |
| Molecular formula chemrof:molecular_formula | C33H68O4 |
| Molecular mass chemrof:molecular_mass | 528.903 |
| Monoisotopic mass chemrof:monoisotopic_mass | 528.511761 |
| SMILES string chemrof:smiles_string | CCCCCCCOCC(COCCCCCCC)(COCCCCCCC)COCCCCCCC |
Known URLs
3Where 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=67762-53-2 | enrich_references.consensus_cas_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID50867322 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/105575 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2b6fe2d5-f462-4412-9473-456465e020d7 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 454f80b8-6d85-47ef-af82-93befcb4c1b4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d4dde65f-6ceb-4e70-9c2b-8ca0ca529782 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f36b88cf-68ab-414e-a0f9-0e30ad015a2a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| de578b38-9f36-4482-b4ac-692906d5d021 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 26f90a94-51ee-4d8e-93c7-10c89616114d | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 794dc7b7-af36-4e90-8483-7e675140121d | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 561dbf1a-feb5-4ac3-b61b-bf267141f1cb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 52c2dba7-b4bc-4426-9e13-10c55065ae2e | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 13c46d8e-97ef-4450-89bf-b8756701b938 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 503883f3-41f5-472c-bc86-07536d606d27 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ce15ca99-4072-4c6f-9a46-027d429bb33e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 2ff1ea24-9c8f-4563-bc70-b64f4b5ed250 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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}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