Decanoic Acid, Mixed Esters With Neopentyl Glycol And Octanoic Acid
fo-a2d2216533f6546c
Identity
- Type
- Molecular complex
- CAS
- 70693-32-2
- EC
- 274-764-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 52 across every transformer
Structure
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | PDYOTPOJFZAOIS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H20O2.C8H16O2.C5H12O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-5(2,3-6)4-7/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);6-7H,3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | capric acid;caprylic acid;2,2-dimethylpropane-1,3-diol, decanoic acid;2,2-dimethylpropane-1,3-diol;octanoic acid |
| Molecular formula chemrof:molecular_formula | C23H48O6 |
| Molecular mass chemrof:molecular_mass | 420.631 |
| Monoisotopic mass chemrof:monoisotopic_mass | 420.345089 |
| SMILES string chemrof:smiles_string | CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(C)(CO)CO |
Known URLs
5Where 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=70693-32-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.067.946 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/116802 | enrich_references.pubchem_compound |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1307100 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q126615919 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9886b20e-c896-4ad1-8e7e-e8dcb88af1eb | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 322b77ba-55ee-4080-844d-ef07b380db67 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| eb57d473-2d02-439f-a9ee-af4c13f98d32 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 21098b9c-a4c6-47f4-affe-5b52a177a9be | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6d799167-9ae1-4fac-89ea-e20fb25c719d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 380e79a9-efdd-491a-87e9-b1cb8c728817 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 567092b0-e739-4e2a-815f-29a357073ad3 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 7a2de0bf-6837-438b-9b42-fd97de44a397 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 26979676-47d6-4623-bef4-a25f3ec8e971 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 33246de5-9f2e-4c25-9ca0-421d34a2e4e1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 53bac5e7-ae1a-4624-81c9-281dab092c00 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ad0bfee5-94af-4663-bf6a-d8b81c46c283 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8c436495-6c19-4112-ab8f-7bff821acc48 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (52 changes)
Full record
Flow object JSON
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