Decanoic Acid, Mixed Esters With Heptanoic Acid, Octanoic Acid And Trimethylolpropane
fo-3e292c470ec42057
Identity
- Type
- Neutral molecule
- CAS
- 68130-53-0
- EC
- 268-596-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 52 across every transformer
Structure
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | QLFNMEAVIXLCHS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C30H56O6/c1-4-7-10-13-14-15-16-18-20-23-29(32)35-26-27(25-34-28(31)22-19-12-9-6-3)36-30(33)24-21-17-11-8-5-2/h27H,4-26H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | (3-heptanoyloxy-2-octanoyloxy-propyl) dodecanoate, (3-heptanoyloxy-2-octanoyloxypropyl) dodecanoate, dodecanoic acid [3-(1-oxoheptoxy)-2-(1-oxooctoxy)propyl] ester, lauric acid (2-caprylyloxy-3-enanthyloxy-propyl) ester |
| Molecular formula chemrof:molecular_formula | C30H56O6 |
| Molecular mass chemrof:molecular_mass | 512.772 |
| Monoisotopic mass chemrof:monoisotopic_mass | 512.40769 |
| SMILES string chemrof:smiles_string | CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC |
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=68130-53-0 | enrich_references.consensus_cas_link |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3085368 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5e9f5af5-858e-497a-a5eb-3476aac508fb | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| cf1cb801-ccd1-4f36-827d-d1c4968b3283 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 535a93bc-9ced-44a1-8811-c553f1f448e2 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| c3dd0580-dbc4-4d5b-9c0d-c5704a400ae1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6e52cd23-ae81-4896-ad98-25cad1604e32 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4defb756-0cc3-42b7-8aa5-8e06b9a7c3d1 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| d99ea090-da86-472b-9df7-7f737e6311da | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 5acc2180-64ad-455a-a61b-ea33983ccc47 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 0976974d-33cc-4f48-872b-ec0070c7db85 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| b69ccd18-ee9b-4454-8b1c-e17389aff4d3 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1ab7cdcc-bb1b-43b4-b455-c1c2027704d0 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| a70c5c14-1cfc-48e1-8151-8db40d7d2c2d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3805b584-64e6-4d32-bdf0-5f881d6ce93e | 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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