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Classification
Quality
Toxicity & Safety
Receptors

Compound Summary

General Compound Information

2-phenylethyl acetate

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Description

Phenethyl acetate is the acetate ester of 2-phenylethanol. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It derives from a 2-phenylethanol.

Synonyms

Phenethyl acetate; 2-Phenylethyl acetate; 103-45-7; 2-Phenethyl acetate; Acetic acid, 2-phenylethyl ester;

Benzylcarbinyl acetate;beta-Phenylethyl acetate;Acetic acid, phenethyl ester;Acetic Acid Phenethyl Ester;Phenethyl alcohol, acetate;Phenylethyl acetate;Ethanol, 2-phenyl-, acetate;beta-Phenethyl acetate;FEMA No. 2857;NSC 71927;2-Phenylethylacetate;.beta.-Phenethyl acetate;.beta.-Phenylethyl acetate;Phenylethyl acetate-.beta.;DTXSID7044506;CHEBI:31988;Acetic acid beta-phenylethyl ester;NSC-71927;67733846OW;phenethylacetate;Phenethyl acetate (natural);EINECS 203-113-5;BRN 0638179;AI3-03878;Acetic Acid 2-Phenylethyl Ester;FEMA 2857;UNII-67733846OW;2-phenylethyl ester;Acetic acid phenethyl;beta -phenethyl acetate;Phenylethyl acetate-beta;beta -phenylethyl acetate;EC 203-113-5;2-Phenethyl acetate, 99%;NCIOpen2_000347;WLN: 1VO2R;.beta.-Phenylethanol acetate;2-Phenylethyl acetate, 9CI;SCHEMBL111422;SCHEMBL8509205;PHENETHYL ACETATE [FCC];CHEMBL3184025;DTXCID5024506;PHENETHYL ACETATE [FHFI];PHENETHYL ACETATE [INCI];acetic acid 2-phenyl ethyl ester;ZINC388671;Acetic acid beta -phenylethyl ester;NSC71927;Tox21_301027;Acetic acid .beta.-phenylethyl ester;MFCD00008720;Phenethyl acetate, analytical standard;AKOS005207039;Phenethyl acetate, >=98%, FCC, FG;NCGC00248260-01;NCGC00254929-01;AC-18657;BS-42314;CAS-103-45-7;A0692;CS-0154998;FT-0621738;Phenethyl acetate, natural, >=98%, FCC, FG;A851581;Q6856299;W-108850;

FlavorDB ID

2947

PUBCHEM ID

Molecular Weight

164.2 Molecular Formula

C10H12O2

Openeye Can Smiles

CC(=O)OCCC1=CC=CC=C1

IUPAC Inchikey

MDHYEMXUFSJLGV-UHFFFAOYSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	floral	2.192e+0 µmol/L	mango	details

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

Food Additive Safety (OFAS)
PHENETHYL ACETATE 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: Phenethyl acetate

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

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

Genotoxicity

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

EFSA Outputs

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

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive
Experimental LCMS	view	LCMS_Positive	positive

Content

Compound Summary

2-phenylethyl acetate

Description

Phenethyl acetate is the acetate ester of 2-phenylethanol. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It derives from a 2-phenylethanol.

Synonyms

Phenethyl acetate; 2-Phenylethyl acetate; 103-45-7; 2-Phenethyl acetate; Acetic acid, 2-phenylethyl ester;

FlavorDB ID

2947

PUBCHEM ID

7654

Molecular Weight

164.2

Molecular Formula

C10H12O2

Openeye Can Smiles

CC(=O)OCCC1=CC=CC=C1

IUPAC Inchikey

MDHYEMXUFSJLGV-UHFFFAOYSA-N

Network

Shown in network

Similarity

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Content

Compound Summary

2-phenylethyl acetate

Description

Phenethyl acetate is the acetate ester of 2-phenylethanol. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It derives from a 2-phenylethanol.

Synonyms

Phenethyl acetate; 2-Phenylethyl acetate; 103-45-7; 2-Phenethyl acetate; Acetic acid, 2-phenylethyl ester;

FlavorDB ID

2947

PUBCHEM ID

7654

Molecular Weight

164.2

Molecular Formula

C10H12O2

Openeye Can Smiles

CC(=O)OCCC1=CC=CC=C1

IUPAC Inchikey

MDHYEMXUFSJLGV-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

OpenFoodTox: component Phenethyl acetate

GC-MS Spectrum

GC-MS Spectrum