Benzenemethanol, alpha-methyl-, (R)- (CHEM099754)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (26)XML
Record Information
Version1.0
Creation Date2026-04-05 11:04:28 UTC
Update Date2026-05-14 18:10:22 UTC
Accession NumberCHEM099754
Identification
Common NameBenzenemethanol, alpha-methyl-, (R)-
ClassSmall Molecule
DescriptionBenzenemethanol, alpha-methyl-, (R)- belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C8H10O and an average molecular weight of 122.17 g/mol. It is found in or released from food, food processing, and cookware via food contact materials, with recorded exposure routes including oral, inhalation, and touch. Regarding its biological activity, the compound has one recorded protein target: R-specific alcohol dehydrogenase (radh).
Contaminant SourcesNot Available
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(1R)-1-PHENYLETHANOLChEBI
(R)-alpha-MethylbenzenemethanolChEBI
(R)-alpha-Methylbenzyl alcoholChEBI
(R)-a-MethylbenzenemethanolGenerator
(R)-Α-methylbenzenemethanolGenerator
(R)-a-Methylbenzyl alcoholGenerator
(R)-Α-methylbenzyl alcoholGenerator
Chemical FormulaC8H10O
Average Molecular Mass122.167 g/mol
Monoisotopic Mass122.073 g/mol
CAS Registry Number1517-69-7
IUPAC Name(1R)-1-phenylethan-1-ol
Traditional NameNot Available
SMILESC[C@@H](O)C1=CC=CC=C1
InChI IdentifierInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
InChI KeyWAPNOHKVXSQRPX-SSDOTTSWSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassNot Available
Direct ParentBenzene and substituted derivatives
Alternative Parents
Substituents
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aromatic alcohol
  • Organooxygen compound
  • Alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a6r-9600000000-05b8862bb2d179e45324Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0ab9-0900000000-9b964cda9dfbb0d59f13Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0ab9-1900000000-0234328259b5d24b6dbfSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9800000000-b65c752ec10f46dd9b9eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-0900000000-1e77ebe5391c7b264188Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00di-2900000000-a2551006930c972b4024Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9300000000-d958a0f5648eeef0f626Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB04784
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID45616
PubChem Compound ID637516
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=21486009