Phenylethyl Alcohol

Phenylethyl Alcohol
Compound Structure:
Synonyms: 2-PHENYLETHANOL;Phenethyl alcohol;Phenylethyl alcohol;60-12-8;Benzeneethanol;Phenylethanol;Benzyl carbinol;Phenethanol;2-Phenylethyl alcohol;2-PHENYL-ETHANOL;beta-Phenylethanol;2-Phenethyl alcohol
Compound ID: NMPC-282
PubChem ID:

6054

Molecular Formula: C8H10O
Canonical SMILES: C1=CC=C(C=C1)CCO
InChIKey: WRMNZCZEMHIOCP-UHFFFAOYSA-N
About the compound:

2-Phenylethanol, also known as phenethyl alcohol, is an organic compound with a pleasant floral odor. It is a colorless liquid and slightly soluble in water but miscible with most organic solvents. This compound consists of a phenethyl group (C6H5CH2CH2−) attached to a hydroxyl group (−OH). It occurs widely in nature and can be found in various essential oils. 2-Phenylethanol has multiple roles, including being a fragrance, a metabolite of Saccharomyces cerevisiae, a plant metabolite, an Aspergillus metabolite, and a plant growth retardant. It is also used as an antimicrobial, antiseptic, disinfectant, and as an aromatic essence and preservative in the fields of pharmaceutics and perfumery. It is naturally found in organisms like Vitis rotundifolia and Lonicera japonica.

GHS Hazard Statements

H302 (82.12%): Harmful if swallowed [Warning Acute toxicity, oral]

H319 (95.43%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

122.16 g/mol

XLogP3

1.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

2

Exact Mass

122.073164938 g/mol

Monoisotopic Mass

122.073164938 g/mol

Topological Polar Surface Area

20.2²

Heavy Atom Count

9

Formal Charge

0

Complexity

65

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colorless liquid with a floral odor; [Hawley]

Boiling Point

218.2°C

Meting Point

-27°C

Solubility 

22200mg/L (at 25 °C)

Vapor Pressure

0.08 [mmHg]

Source: PubChem

Source Species: Phyllanthus muellerianus
Centratherum punctatum
Plumeria alba
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