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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10O
Molecular Weight 122.1644
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLETHYL ALCOHOL

SMILES

OCCC1=CC=CC=C1

InChI

InChIKey=WRMNZCZEMHIOCP-UHFFFAOYSA-N
InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

HIDE SMILES / InChI
Molecular Formula C8H10O
Molecular Weight 122.1644
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Phenethyl alcohol, or 2-phenylethanol, is an aromatic alcohol with a rosy scent. It is widely used in the food, fragrance, and cosmetic industries. It is used in the formulation of eye area makeup, skin care products, shampoos, perfumes, and colognes. Promising sources of natural 2-phenylethanol are microorganisms, especially yeasts, which can produce it by biosynthesis and biotransformation.

Approval Year

1994
152
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Inactive ingredient
Approved
8583
KLEER-PLEX ADVANCED ACNE CARE SYSTEM

Approved Use

Acne Treatment. - For the management of acne. - Clears up most acne pimples, blackheads, and whiteheads and allows skin to heal. - Penetrates pores to eliminate most acne blemishes. - Helps prevent new acne pimples.
Doses

Doses

DosePopulationAdverse events​
25 % single, respiratory
Highest studied dose
Dose: 25 %
Route: respiratory
Route: single
Dose: 25 %
Sources:
https://pubmed.ncbi.nlm.nih.gov/12110454/
healthy, ADULT
Health Status: healthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/12110454/
Sources:
https://pubmed.ncbi.nlm.nih.gov/12110454/
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG
inhibitor
2252
inhibitor
2438
inhibitor
2507
substrate
9

OverviewOther

Other InhibitorOther SubstrateOther Inducer
CYP19A1
429

CYP1A2
2153

CYP2C19
2057
Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
CYP1A2
2333
 inconclusive [IC50 24.5454 uM]
CYP2D6
2546
 inconclusive [IC50 24.5454 uM]
CYP19A1
430
 no
CYP2C19
2141
 no
CYP2C9
2497
 no
CYP3A4
2633
 yes [IC50 10.964 uM]
Tox targets

Tox targets

TargetModalityActivityMetaboliteClinical evidence
hERG
2263
PubMed

PubMed

TitleDatePubMed
Germination and growth inhibitors from wheat (Triticum aestivum L.) husks.
2002-10-23
Influence of thermal treatments simulating cooking processes on the polyphenol content in virgin olive oil.
2002-10-09
Selective antiproliferative activity of caffeic acid phenethyl ester analogues on highly liver-metastatic murine colon 26-L5 carcinoma cell line.
2002-10
Effect of different strains of Saccharomyces cerevisiae on production of volatiles in Napa Gamay wine and Petite Sirah wine.
2002-09-25
Use of inverse gas chromatography to characterize cotton fabrics and their interactions with fragrance molecules at controlled relative humidity.
2002-09-06
Comparison of lateralized and binasal olfactory thresholds.
2002-09
The protective role of caffeic acid phenethyl ester (CAPE) on testicular tissue after testicular torsion and detorsion.
2002-09
Olive oil phenolics: effects on DNA oxidation and redox enzyme mRNA in prostate cells.
2002-09
Regulation of Fas (CD95)-induced apoptosis by nuclear factor-kappaB and tumor necrosis factor-alpha in macrophages.
2002-09
Constituents of Clerodendrum bungei.
2002-09
Monitoring the differential ordering of enantiomers included into cyclodextrins through deuterium NMR in lyotropic liquid crystals.
2002-08-21
Olea europaea L. leaf extract and derivatives: antioxidant properties.
2002-08-14
Purine metabolizing capability of Enterobacter agglomerans affects volatiles production and attractiveness to Mexican fruit fly.
2002-08
Inhibition of angiogenesis by propolis.
2002-08
Cancer chemoprevention by hydroxytyrosol isolated from virgin olive oil through G1 cell cycle arrest and apoptosis.
2002-08
Use of caffeic acid phenethyl ester to prevent sodium-selenite-induced cataract in rat eyes.
2002-08
Accumulation of tyrosol glucoside in transgenic potato plants expressing a parsley tyrosine decarboxylase.
2002-08
Lateralization in human nasal chemoreception: differences in bilateral electrodermal responses related to olfactory and trigeminal stimuli.
2002-07-18
Application of pulsed field gradient NMR techniques for investigating binding of flavor compounds to macromolecules.
2002-07-17
Hydroxytyrosol 4-beta-D-glucoside, an important phenolic compound in olive fruits and derived products.
2002-06-19
Biophenols in table olives.
2002-06-19
Extractive bioconversion of 2-phenylethanol from L-phenylalanine by Saccharomyces cerevisiae.
2002-06-08
Application of the porapak q column extraction method for tomato flavor volatile analysis.
2002-06-05
Acute sensory irritation from exposure to isopropanol (2-propanol) at TLV in workers and controls: objective versus subjective effects.
2002-06
Biotechnological production of 2-phenylethanol.
2002-06
Physicochemical screening of antimicrobial agents as potential preservatives for submicron emulsions.
2002-06
Beneficial effects of caffeic acid phenethyl ester in a rat model of vascular injury.
2002-06
Biogenesis of 2-phenylethanol in rose flowers: incorporation of [2H8]L-phenylalanine into 2-phenylethanol and its beta-D-glucopyranoside during the flower opening of Rosa 'Hoh-Jun' and Rosa damascena Mill.
2002-05
Oxidative stress and inflammatory reaction modulation by white wine.
2002-05
Constituents of Chinese propolis and their antiproliferative activities.
2002-05
Volatile metabolites from actinomycetes.
2002-04-24
Taste, smell and neuropsychological performance of individuals at familial risk for Alzheimer's disease.
2002-04-18
Comparison of radical scavenging effect, inhibition of microsomal oxygen free radical generation, and serum lipoprotein oxidation of several natural antioxidants.
2002-04-10
Structural characterization of the metabolites of hydroxytyrosol, the principal phenolic component in olive oil, in rats.
2002-04-10
Continuous green biocatalytic processes using ionic liquids and supercritical carbon dioxide.
2002-04-07
Identification of malodorous, a wild species allele affecting tomato aroma that was aelected against during domestication.
2002-03-27
Nuclear factor-kappa B-independent regulation of lipopolysaccharide-mediated interleukin-6 biosynthesis.
2002-03-08
[Coprecipitation of the Pseudomonas fluorescens lipase with hydrophobic compounds as an approach to its immobilization for catalysis in nonaqueous media].
2002-03-06
Volatiles from rhizomes of Rhodiola rosea L.
2002-03
Caffeic acid phenethyl ester and curcumin: a novel class of heme oxygenase-1 inducers.
2002-03
Analysis of free and bound volatiles by gas chromatography and gas chromatography-mass spectrometry in uncased and cased tobaccos.
2002-02-22
Identification of odoriferous compounds from adults of a swallowtail butterfly, Papilio machaon (Lepidoptera: Papilionidae).
2002-02-12
Molecular cloning, expression and characterization of tropinone reductase II, an enzyme of the SDR family in Solanum tuberosum (L.).
2002-02-01
Five new nortropane alkaloids and six new amino acids from the fruit of Morus alba LINNE growing in Turkey.
2002-02
Inhibitory activity of the white wine compounds, tyrosol and caffeic acid, on lipopolysaccharide-induced tumor necrosis factor-alpha release in human peripheral blood mononuclear cells.
2002
Effect of some white wine phenols in preventing inflammatory cytokine release.
2002
Biological properties of olive oil phytochemicals.
2002
Simple method for the selection of the appropriate food simulant for the evaluation of a specific food/packaging interaction.
2002
Effect of caffeic acid phenethyl ester on corneal neovascularization in rats.
2001-10
Controlled exposures to volatile organic compounds in sensitive groups.
2001-03
Patents

Patents

04021451
7
04335008
1
04346080
1
04374746
1
04649160
33
04703124
2
05032677
3
05196601
3
05220072
2
05455260
1
05466798
1
05567841
8
JP2000044506A
1
JP2000204390A
1
JP2001233753A
4
JP2003064024A
1
JP2004203839A
3
JP2004523616A
17
JP2006282845A
2
JP2012500841A
4
JPH02113836A
3
JPH02167247A
1
JPH0285211A
1
JPH03135999A
2
JPH03160985A
1
JPH0466555A
2
JPH06166649A
1
JPH08225435A
1
JPH09132792A
1
JPH09510976A
15
JPS52113933A
1
JPS5555181A
1
JPS56122331A
2
JPS61165306A
1
JPS61289899A
1
JPS6143106A
1
JPS6172727A
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:37:08 GMT 2025
Edited
by admin
on Mon Mar 31 17:37:08 GMT 2025
Record UNII
ML9LGA7468
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenethyl alcohol
FCC   INCI   MART.   MI   WHO-DD  
INCI  
Preferred Name English
PHENYLETHYL ALCOHOL
FHFI   HSDB   II   USP   USP-RS  
Systematic Name English
PHENYLETHYL ALCOHOL [II]
Common Name English
PHENETHYL ALCOHOL [FCC]
Common Name English
PHENYLETHYL ALCOHOL [USP-RS]
Common Name English
PHENYLETHYL ALCOHOL [FHFI]
Common Name English
PHENETHYL ALCOHOL [MI]
Common Name English
.BETA.-HYDROXYETHYLBENZENE
Systematic Name English
BENZENEETHANOL
Systematic Name English
PHENYLETHANOL
Systematic Name English
PHENYLETHYL ALCOHOL [HSDB]
Common Name English
NSC-406252
Code English
2-PHENYLETHANOL
Systematic Name English
Phenethyl alcohol [WHO-DD]
Common Name English
PHENYLETHYL ALCOHOL [USP MONOGRAPH]
Common Name English
FEMA NO. 2858
Code English
PHENETHYL ALCOHOL [MART.]
Common Name English
.BETA.-(HYDROXYETHYL)BENZENE
Common Name English
(2-HYDROXYETHYL)BENZENE
Systematic Name English
.BETA.-PHENYLETHYL ALCOHOL
Systematic Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
NCI_THESAURUS C28394
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
EPA PESTICIDE CODE 1503
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
JECFA EVALUATION PHENETHYL ALCOHOL
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
Code System Code Type Description
HSDB
5002
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
PRIMARY
MESH
D010626
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PRIMARY
DRUG BANK
DB02192
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PRIMARY
MERCK INDEX
m8608
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
PRIMARY Merck Index
ChEMBL
CHEMBL448500
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PRIMARY
SMS_ID
100000115780
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PRIMARY
ECHA (EC/EINECS)
200-456-2
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PRIMARY
RS_ITEM_NUM
1533250
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PRIMARY
CAS
60-12-8
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PRIMARY
RXCUI
8126
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PRIMARY RxNorm
CAS
1321-27-3
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
NON-SPECIFIC SUBSTITUTION
PUBCHEM
6054
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PRIMARY
EVMPD
SUB31102
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID9026342
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
PRIMARY
FDA UNII
ML9LGA7468
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
PRIMARY
NSC
406252
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
PRIMARY
WIKIPEDIA
PHENETHYL ALCOHOL
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
PRIMARY
NCI_THESAURUS
C77399
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
PRIMARY
JECFA MONOGRAPH
920
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PRIMARY
CHEBI
49000
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PRIMARY
DAILYMED
ML9LGA7468
Created by admin on Mon Mar 31 17:37:08 GMT 2025 , Edited by admin on Mon Mar 31 17:37:08 GMT 2025
PRIMARY
Related Record Type Details
MORINGA OLEIFERA LEAF OIL
PARENT -> CONSTITUENT ALWAYS PRESENT
<0.1% of chemical composition of the leaf essential oil from Moringa oleifera.
NIH
NCATS
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