C9-11 Branched Alcohols , C10 Rich Diesters With Nonanedioic Acid
fo-41c8f1d1e6b5d4c7
Identity
- Type
- Neutral molecule
- CAS
- 28472-97-1
- EC
- 249-044-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
5- Azelaic acid, diisodecyl ester
- Diisodecyl azelaate
- Isodecyl alcohol, azelaate (2:1)
- Nonanedioic acid, 1,9-diisodecyl ester
- Nonanedioic acid, diisodecyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | WLLCYXDFVBWGBU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C29H56O4/c1-26(2)20-14-8-6-12-18-24-32-28(30)22-16-10-5-11-17-23-29(31)33-25-19-13-7-9-15-21-27(3)4/h26-27H,5-25H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Azelaic acid, diisodecyl ester |
| Molecular formula chemrof:molecular_formula | C29H56O4 |
| Molecular mass chemrof:molecular_mass | 468.763 |
| Monoisotopic mass chemrof:monoisotopic_mass | 468.41786 |
| SMILES string chemrof:smiles_string | CC(C)CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC(C)C |
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=28472-97-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.044.571 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/362AT1XP12 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/119967 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27256509 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 78d4d055-3aec-4241-9a1d-9f0de7aad563 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 91e8ee06-dd38-4833-81ce-4a8fcc5e346a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 81334114-fc33-4071-a5c6-10cb65f4b5cd | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 2cb60b45-60d7-4a74-ae14-52e38b146ff4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 698b1c42-a8e9-4c22-8464-835bfec57ce0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f7e66e51-f7ae-490d-8839-e952b3339ded | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| e02773a8-7c32-4adb-a76a-41ce0b8abf92 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 84bf6bdf-adbb-48e4-a72c-17e77f4aaee7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 7267426a-39c2-46c2-87f3-77d62a40c601 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 2b0bec9c-9802-42ba-a63b-f0932b054c18 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 64da3178-8144-4459-ad4c-0d6048e8601c | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 2bbfa3f1-0f51-45ca-9012-6807097598d6 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 54463990-bb6e-4c09-a5c4-33bc96d8b289 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 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