Hexyl Salicylate

1-Hexyl salicylate
Benzoic acid, 2-hydroxy-, hexyl ester
Hexyl 2-hydroxybenzoate
n-Hexyl salicylate
Salicylic acid, hexyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	DUKPKQFHJQGTGU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
IUPAC name chemrof:IUPAC_name	Hexyl Salicylate
Molecular formula chemrof:molecular_formula	C13H18O3
Molecular mass chemrof:molecular_mass	222.284
Monoisotopic mass chemrof:monoisotopic_mass	222.125594
SMILES string chemrof:smiles_string	CCCCCCOC(=O)c1ccccc1O

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=6259-76-3	enrich_references.consensus_cas_link
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88836	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.025.826	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4038924	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL495972	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8F78EY72YL	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0061943	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J169.182A	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=139131	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/22629	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1421892	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27160824	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
750d772a-e79a-42a1-8d21-28ed7a3b79b2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
c7f50bf0-7c5d-43e4-b21b-70831a4ad336	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b4d97eeb-a855-4a09-8ce9-2d9f04adcaab	Environmental → Air → Indoor	EF 3.1	kg	2
69f3c2df-f2b9-4669-aca5-2d631d1fbb9f	Environmental → Air → Long-term	EF 3.1	kg	0
50a174d2-a23a-41bf-be4d-9b20ba096b57	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
6d7313ed-4370-4e0c-adb9-f70a3d7b144a	Environmental → Air → Unknown	EF 3.1	kg	2
ae01dee1-6e43-44ac-ba38-e76dce0ed3cd	Environmental → Ground → Agricultural	EF 3.1	kg	2
b07094d5-ef9a-4fa3-abef-7741819ce66f	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
c52e5e65-901b-44ca-ab36-0dd32a28f31a	Environmental → Ground → Unknown	EF 3.1	kg	2
179648f4-2f2b-4deb-81ca-91ff6aeeb9c9	Environmental → Water → Long-term	EF 3.1	kg	0
74b48ea0-7304-448a-b96e-e7b1b05e77bf	Environmental → Water → Ocean	EF 3.1	kg	2
1ad9b051-e5be-467a-b6b1-ac96259fccd6	Environmental → Water → Surface water	EF 3.1	kg	2
b709cbc1-615f-4abc-a8a2-2fe4e7996fec	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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Hexyl Salicylate

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Structure

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Known URLs

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