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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 22:15:00 UTC
Update Date2021-09-26 22:53:27 UTC
HMDB IDHMDB0245150
Secondary Accession NumbersNone
Metabolite Identification
Common Name2-Hydroxyacetophenone
Description2-hydroxyacetophenone, also known as benzoylcarbinol or glycolophenone, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2-hydroxyacetophenone exists in all living organisms, ranging from bacteria to humans. 2-hydroxyacetophenone is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on 2-hydroxyacetophenone. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2-hydroxyacetophenone is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2-Hydroxyacetophenone is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
alpha-HydroxyacetophenoneChEBI
BenzoylcarbinolChEBI
GlycolophenoneChEBI
Hydroxymethyl phenyl ketoneChEBI
Omega-hydroxyacetophenoneChEBI
Phenacyl alcoholChEBI
a-HydroxyacetophenoneGenerator
Α-hydroxyacetophenoneGenerator
1-Phenyl-2-hydroxyethanoneMeSH
Chemical FormulaC8H8O2
Average Molecular Weight136.15
Monoisotopic Molecular Weight136.052429498
IUPAC Name2-hydroxy-1-phenylethan-1-one
Traditional Namehydroxyacetophenone
CAS Registry NumberNot Available
SMILES
OCC(=O)C1=CC=CC=C1
InChI Identifier
InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
InChI KeyZWVHTXAYIKBMEE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAlkyl-phenylketones
Alternative Parents
Substituents
  • Alkyl-phenylketone
  • Aryl alkyl ketone
  • Benzoyl
  • Benzenoid
  • Monocyclic benzene moiety
  • Alpha-hydroxy ketone
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID61765
KEGG Compound IDC07189
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkHydroxyacetophenone
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID28341
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1469331
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]