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Compound Summary

General Compound Information

2-phenylethanol

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Description

2-phenylethanol is a primary alcohol that is ethanol substituted by a phenyl group at position 2. It has a role as a fragrance, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Aspergillus metabolite and a plant growth retardant. It is a primary alcohol and a member of benzenes.

Synonyms

2-PHENYLETHANOL; Phenethyl alcohol; Phenylethyl alcohol; 60-12-8; Benzeneethanol;

Phenylethanol;Benzyl carbinol;Phenethanol;2-Phenylethyl alcohol;2-PHENYL-ETHANOL;beta-Phenylethanol;2-Phenylethan-1-Ol;2-Phenethyl alcohol;Benzylmethanol;Methanol, benzyl-;Benzenethanol;Benzylcarbinol;Phenethylalcohol;2-Hydroxyethylbenzene;FEMA No. 2858;1-Phenyl-2-ethanol;Ethanol, 2-phenyl-;2-PEA;Phenyl ethyl alcohol;1321-27-3;beta-Phenylethyl alcohol;beta-PEA;2-Phenethanol;.beta.-Hydroxyethylbenzene;.beta.-Phenylethyl alcohol;Hydroxyethylbenzene;MFCD00002886;.beta.-Phenylethanol;.beta.-PEA;beta-Phenethyl alcohol;.beta.-Phenethyl alcohol;Phenylethyl alcohol [USP];NSC-406252;.beta.-(hydroxyethyl)benzene;ML9LGA7468;DTXSID9026342;CHEBI:49000;NCGC00166215-02;Phenylethyl alcohol (USP);Ethanol, phenyl-;DTXCID206342;Caswell No. 655C;Phenyl Ethanol(Natural);FEMA Number 2858;beta-Fenylethanol;beta-Fenylethanol [Czech];2-phenyl ethanol;CAS-60-12-8;Phenethyl alcohol (natural);beta-Fenethylalkohol [Czech];beta-Fenethylalkohol;PEL;SMR000059156;HSDB 5002;EINECS 200-456-2;EPA Pesticide Chemical Code 001503;NSC 406252;BRN 1905732;UNII-ML9LGA7468;benzene-ethanol;Mellol;phenyl-ethanol;Benzyl-Methanol;AI3-00744;2-PhenyIethanol;phenylethyl-alcohol;.beta.-Phenethanol;HY1;.beta.-Fenylethanol;b-Hydroxyethylbenzene;Benzyl ethyl alcohol;2-phenyl-1-ethanol;Benzeneethanol, 9CI;betaphenylethyl alcohol;.beta.-Fenethylalkohol;2-Phenylethanol, USP;A-PEA;(2-Hydroxyethyl)benzene;beta -hydroxyethylbenzene;2-Phenylethanol, 99%;.beta.-P.E.A.;Phenylethyl alcohol, USAN;bmse000659;Phenylethyl, beta- alcohol;EC 200-456-2;2-(2-Hydroxyethyl)benzene;SCHEMBL1838;WLN: Q2R;4-06-00-03067 (Beilstein Handbook Reference);MLS001066349;MLS001336026;PHENETHYL ALCOHOL [MI];Phenethyl alcohol, 8CI, BAN;CHEMBL448500;PHENETHYL ALCOHOL [FCC];PHENYLETHYL, B- ALCOHOL;PHENETHYL ALCOHOL [INCI];PHENYLETHYL ALCOHOL [II];BDBM85807;FEMA 2858;PHENETHYL ALCOHOL [MART.];HMS2093H05;HMS2233H06;HMS3374P04;Pharmakon1600-01505398;PHENYLETHYL ALCOHOL [FHFI];PHENYLETHYL ALCOHOL [HSDB];ZINC895934;PHENETHYL ALCOHOL [WHO-DD];BCP32115;CS-B1821;HY-B1290;NSC_6054;Tox21_113544;Tox21_201322;Tox21_303383;BBL036905;NSC406252;NSC759116;PHENYLETHYL ALCOHOL [USP-RS];s3703;STL281950;2-Phenylethanol, >=99.0% (GC);AKOS000249688;Tox21_113544_1;CCG-213419;DB02192;NSC-759116;CAS_60-12-8;Phenethyl alcohol, >=99%, FCC, FG;NCGC00166215-01;NCGC00166215-03;NCGC00166215-05;NCGC00257347-01;NCGC00258874-01;AC-18484;PHENYLETHYL ALCOHOL [USP MONOGRAPH];SBI-0206858.P001;FT-0613332;FT-0673679;P0084;EN300-19347;C05853;D00192;D70868;Phenethyl alcohol, natural, >=99%, FCC, FG;AB00698274_05;A832606;Q209463;SR-01000763553;Phenylethyl alcohol;Phenethyl alcohol;Benzeneethanol;Q-200318;SR-01000763553-2;0DE4CADC-AB8A-4038-BD6F-EBD009885652;F0001-1575;Z104473586;2-phenylethanol;2-Phenylethyl alcohol;Benzeneethanol;Phenylethanol;Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard;Phenylethyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material;19601-20-8;

FlavorDB ID

276 PUBCHEM ID

Molecular Weight

122.16 Molecular Formula

C8H10O

Openeye Can Smiles

C1=CC=C(C=C1)CCO

IUPAC Inchikey

WRMNZCZEMHIOCP-UHFFFAOYSA-N

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Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	flowery, winelike	1.800e+1 µmol/L		details
smell		8.186e+1 µmol/L	white wine	details
smell	flowery, honey-like	1.146e+0 µmol/L		details
smell	flowery, honey-like	3.193e+0 µmol/L		details
smell	floral, rose-like	1.146e+0 µmol/L	mango	details
smell		4.700e+2 µg/kg	gluten-free rice bread wheat bread	details
smell	flowery	2.947e+1 µmol/L	rum red wine	details
smell	floral	1.146e+0 µmol/L	jackfruit pulp	details
smell	flowery, honey-like	4.700e+2 µg/kg	pretzel	details
smell	floral-like	1.146e+0 µmol/L	cempedak	details

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
PHENETHYL ALCOHOL is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 2-Phenylethan-1-ol

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Reference point information of this compound is not available!

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

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OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2010	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers
2253	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers

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Genotoxicity

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Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2008	2253	Not determined
EFSA CEF	2009	2010	Not determined

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EFSA Outputs

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Output ID	Title	DOI	Published
2010	Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) and structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14Rev1 (2009) and one phenoxyethyl ester evaluated in FGE.23Rev1 (2008). Scientific Opinion of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)	doi:10.2903/j.efsa.2009.1024	10Sep2009
2253	Flavouring Group Evaluation 53 (FGE.53) Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)	doi:10.2903/j.efsa.2008.710	21May2008

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Receptors

Receptor information of this compound is not available!

Consensus Spectra

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Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

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Content

Compound Summary

2-phenylethanol

Description

2-phenylethanol is a primary alcohol that is ethanol substituted by a phenyl group at position 2. It has a role as a fragrance, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Aspergillus metabolite and a plant growth retardant. It is a primary alcohol and a member of benzenes.

Synonyms

2-PHENYLETHANOL; Phenethyl alcohol; Phenylethyl alcohol; 60-12-8; Benzeneethanol;

FlavorDB ID

276

PUBCHEM ID

6054

Molecular Weight

122.16

Molecular Formula

C8H10O

Openeye Can Smiles

C1=CC=C(C=C1)CCO

IUPAC Inchikey

WRMNZCZEMHIOCP-UHFFFAOYSA-N

Network

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Similarity

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Content

Compound Summary

2-phenylethanol

Description

2-phenylethanol is a primary alcohol that is ethanol substituted by a phenyl group at position 2. It has a role as a fragrance, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Aspergillus metabolite and a plant growth retardant. It is a primary alcohol and a member of benzenes.

Synonyms

2-PHENYLETHANOL; Phenethyl alcohol; Phenylethyl alcohol; 60-12-8; Benzeneethanol;

FlavorDB ID

276

PUBCHEM ID

6054

Molecular Weight

122.16

Molecular Formula

C8H10O

Openeye Can Smiles

C1=CC=C(C=C1)CCO

IUPAC Inchikey

WRMNZCZEMHIOCP-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

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Reference Details

Reference Details

OpenFoodTox: component 2-Phenylethan-1-ol

GC-MS Spectrum