hydroxycitronellal (CHEBI:53459)

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ChEBI Name	hydroxycitronellal

ChEBI ID	CHEBI:53459

Definition	The tertiary alcohol arising from addition of water across the C=C double bond of citronellal.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C10H20O2

Net Charge

Average Mass

172.26460

Monoisotopic Mass

172.14633

InChI

InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3

InChIKey

WPFVBOQKRVRMJB-UHFFFAOYSA-N

SMILES

[H]C(=O)CC(C)CCCC(C)(C)O

Roles Classification
Biological Role(s):	allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

Application(s):	fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	hydroxycitronellal (CHEBI:53459) has functional parent citronellal (CHEBI:47856) hydroxycitronellal (CHEBI:53459) has role allergen (CHEBI:50904) hydroxycitronellal (CHEBI:53459) has role fragrance (CHEBI:48318) hydroxycitronellal (CHEBI:53459) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

7-hydroxy-3,7-dimethyloctanal

Last Modified

12 May 2014