2-ethylhexyl Benzoate

1-Hexanol, 2-ethyl-, benzoate
2-Ethyl-1-hexanol benzoate
Benzoic acid, 2-ethylhexyl ester
Ethylhexyl benzoate
Finsolv EB
Hi-Ester B 508

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

Where 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.org	https://www.wikidata.org/wiki/Q27287844	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (55 changes)

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Flow object JSON

{
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    },
    {
      "@value": "2-Ethyl-1-hexanol benzoate",
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2-ethylhexyl Benzoate

Identity

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