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Compound Summary

General Compound Information

3-ethylphenol

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Description

3-Ethylphenol is a member of phenols.

Synonyms

3-ETHYLPHENOL; 620-17-7; m-Ethylphenol; Phenol, 3-ethyl-; Phenol, m-ethyl-;

1-Ethyl-3-hydroxybenzene;1-Hydroxy-3-ethylbenzene;meta-Ethylphenol;3-Ethyl-phenol;3-ETHYL PHENOL;0G9ZK222JX;DTXSID0022480;CHEBI:34332;NSC-8873;MFCD00002311;3-Ethylphenol 100 microg/mL in Methanol;DTXCID402480;CAS-620-17-7;Benzene, 1-ethyl-3-hydroxy-;HSDB 5720;NSC 8873;EINECS 210-627-3;UNII-0G9ZK222JX;AI3-19938;M-ElhylPhenol;m-Ethyl phenol;Isobutylsalicylate;3-Ethylphenol, 99%;ETHYLPHENOL, 3-;SCHEMBL51757;3-ETHYLPHENOL [HSDB];BIDD:ER0180;CHEMBL58052;NSC8873;ALBB-026446;ZINC1648289;Tox21_201623;Tox21_302992;STL481945;3-Ethylphenol, >=95.0% (GC);3-Ethylphenol, technical grade, 80%;AKOS000120810;NCGC00249086-01;NCGC00256388-01;NCGC00259172-01;LS-09015;DB-030920;A8582;E0161;FT-0628787;EN300-20883;D78431;3-Ethylphenol, PESTANAL(R), analytical standard;Q-200377;Q4634135;

FlavorDB ID

3042

PUBCHEM ID

Molecular Weight

122.16 Molecular Formula

C8H10O

Openeye Can Smiles

CCC1=CC(=CC=C1)O

IUPAC Inchikey

HMNKTRSOROOSPP-UHFFFAOYSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	phenolic, leather-like	6.958e-3 µmol/L		details
smell	phenolic, leather-like	1.392e-2 µmol/L		details
smell	phenolic, leather-like	6.958e-3 µmol/L	green tea	details
smell	phenolic, leather-like	6.025e-2 µmol/L	olive oil	details

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

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 3-Ethylphenol

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
2236	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers
2084	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2007	2236	Not determined
EFSA CEF	2011	2084	Not determined

EFSA Outputs

Output ID	Title	DOI	Published
2084	Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25	doi:10.2903/j.efsa.2011.1990	02May2011
2236	Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 22: Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)	doi:10.2903/j.efsa.2007.393	04May2007

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_Negative	negative

Content

Compound Summary

3-ethylphenol

Description

3-Ethylphenol is a member of phenols.

Synonyms

3-ETHYLPHENOL; 620-17-7; m-Ethylphenol; Phenol, 3-ethyl-; Phenol, m-ethyl-;

FlavorDB ID

3042

PUBCHEM ID

12101

Molecular Weight

122.16

Molecular Formula

C8H10O

Openeye Can Smiles

CCC1=CC(=CC=C1)O

IUPAC Inchikey

HMNKTRSOROOSPP-UHFFFAOYSA-N

Network

Shown in network

Similarity

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Content

Compound Summary

3-ethylphenol

Description

3-Ethylphenol is a member of phenols.

Synonyms

3-ETHYLPHENOL; 620-17-7; m-Ethylphenol; Phenol, 3-ethyl-; Phenol, m-ethyl-;

FlavorDB ID

3042

PUBCHEM ID

12101

Molecular Weight

122.16

Molecular Formula

C8H10O

Openeye Can Smiles

CCC1=CC(=CC=C1)O

IUPAC Inchikey

HMNKTRSOROOSPP-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

Reference Details

Reference Details

OpenFoodTox: component 3-Ethylphenol

GC-MS Spectrum

GC-MS Spectrum