Heptanoic Acid, Ester With 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Pentanoate
fo-773fb80cdc0d837f
Identity
- Type
- Molecular complex
- CAS
- 67762-64-5
- EC
- 267-029-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
1- Trimethylolpropane heptanoate valerate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BHWBBAYOMXQXQH-UHFFFAOYSA-N, CIPBJDPIFXKOLJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H14O2.C6H14O3.C5H10O2/c1-2-3-4-5-6-7(8)9;1-2-6(3-7,4-8)5-9;1-2-3-4-5(6)7/h2-6H2,1H3,(H,8,9);7-9H,2-5H2,1H3;2-4H2,1H3,(H,6,7) |
| IUPAC name chemrof:IUPAC_name | Trimethylolpropane heptanoate valerate |
| Molecular formula chemrof:molecular_formula | C18H34O5, C18H38O7 |
| SMILES string chemrof:smiles_string | CCC(CO)(CO)CO.CCCCC(=O)O.CCCCCCC(=O)O |
Known URLs
4Where 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=67762-64-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.060.917 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/106781 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q126609803 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 80225d6f-c10b-4139-8fd7-0c47b091cb73 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| b080d168-d25a-480e-826d-142917c0518f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 0894600f-5dd1-4153-be6b-9eefeaf2c6c5 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 91d0da40-32a5-44dd-89e5-32dac2b3d749 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6dd9aa52-73ee-484d-ac4c-09867640020f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 3fccf08c-d4cf-447d-9a21-bb7848061c5b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 045dbb53-e40a-4930-8296-8c30e9d3d4ac | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| f5116d9c-cb87-4b5f-ad25-76f54ddfa3da | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 08d31edc-b5bc-48d2-9268-1e156d6ddf49 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 001b0eb1-deed-490a-9bb2-f29e7d58b5ab | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d7312e7b-c606-4709-87b4-7384e93933fd | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 64ac5d87-fffc-4af8-b017-fd5225fe255e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 38e0686c-7904-41af-bc9d-6b5e9afad909 | 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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- This is not that chemical
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