Terminology Service for NFDI4Health
monohexyl phthalate
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http://purl.obolibrary.org/obo/CHEBI_132604
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of hexanol.
Term info
Label
monohexyl phthalate
Synonyms
- 2-[(hexyloxy)carbonyl]benzoic acid
Subsets
3_STAR
charge
0
formula
C14H18O4
has obo namespace
chebi_ontology
has related synonym
2-(Hexyloxycarbonyl)benzoic acid, mono-n-hexyl phthalate, phthalic acid monohexyl ester, 1,2-Benzenedicarboxylic acid, monohexyl ester, Hexyl hydrogen phthalate
id
CHEBI:132604
inchi
InChI=1S/C14H18O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)
inchikey
XOSNGXNHDRYFEF-UHFFFAOYSA-N
mass
250.291
monoisotopicmass
250.12051
smiles
C1(=CC=CC=C1C(=O)OCCCCCC)C(=O)O