2-ethylhexyl Benzoate
fo-ad48278e367acdd3
Identity
- Type
- Neutral molecule
- CAS
- 5444-75-7
- EC
- 226-641-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
6- 1-Hexanol, 2-ethyl-, benzoate
- 2-Ethyl-1-hexanol benzoate
- Benzoic acid, 2-ethylhexyl ester
- Ethylhexyl benzoate
- Finsolv EB
- Hi-Ester B 508
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | UADWUILHKRXHMM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-ethylhexyl Benzoate |
| Molecular formula chemrof:molecular_formula | C15H22O2 |
| Molecular mass chemrof:molecular_mass | 234.339 |
| Monoisotopic mass chemrof:monoisotopic_mass | 234.16198 |
| SMILES string chemrof:smiles_string | CCCCC(CC)COC(=O)c1ccccc1 |
Known URLs
13Where 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=5444-75-7 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.024.219 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4041654 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11291 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=19155 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184685 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/2-ethylhexyl-benzoate | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R63ZWW1A13 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J210.483K | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=152547 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL3184685 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/94310 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27287844 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 91984821-4a89-4306-9efe-9d84d77d7bda | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 817cf4c0-1ae4-4e24-8997-ebcd5c0a29e1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 4b4c86e1-3c2a-4631-bf41-24befcdcb1d7 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4a82f76e-6a5a-401d-8644-d8c38ca89712 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 56d7e801-52f2-4ce8-955f-45bf49064213 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 6930e3fd-f008-4179-ba2a-11c0141eed07 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 531ffa48-c648-4936-8559-4aea16db8139 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| b8eeab97-8e62-47e2-b6cd-36fd095e59a3 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| a8b638bb-94ac-4052-88c6-d099ff7f6eea | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| b0090d3c-56e3-42a0-8790-552508da1130 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 524beab2-5942-4168-bf50-d627dafabdf4 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 00a68bc2-ba52-4de9-a429-88192dec3ee1 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 8c75b23e-0f54-451c-bff0-fc7cf6105c42 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
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