2-phenylethanol

2-phenylethanol bmse000659 - Data

2_phenylethanol synonyms

beta-PEA; 2-Phenylethanol; 2-Phenylethyl alcohol; beta-Phenylethanol; benzeneethanol; phenethanol; 2-PEA; Benzylmethanol; Benzeneethanol; Phenylethyl alcohol; beta-Phenylethyl alcohol

Wikipedia:

Graphical representations:

2_phenylethanol

View large 3D structure

Molecular Formula: C8H10O

Natural Isotopic Abundance Mass: 122.1644

Mono-Isotopic Molecular Masses:

  • C12N14: 122.0731649431
  • C13N14: 130.1000036455
  • C12N15: 122.0731649431
  • C13N15: 130.1000036455

InChI string: InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

PubChem Compound (CID): 6054
CAS Registry number: 60-12-8
Sigma-Aldrich: P6134_SIGMA
ChEBI: CHEBI:49000
EPA DSSTox: 41513
KEGG Compound ID: C05853
BioCyc: CPD-7035
ZINC: ZINC00895934
MMCD: cq_03294
MDL: MFCD00002886
PDB Compound ID: PEL

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)