EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

3-ethyl phenol
1-hydroxy-3-ethylbenzene

Supplier Sponsors

CAS Number: 620-17-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-627-3
FDA UNII:0G9ZK222JX
Beilstein Number:1857002
MDL:MFCD00002311
CoE Number:549
XlogP3:2.40 (est)
Molecular Weight:122.16690000
Formula:C8 H10 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents and cosmetic fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:04.021 (Old)
DG SANTE Food Flavourings:04.021 3-ethylphenol
FDA Mainterm (IAUFC):620-17-7 ; ETHYLPHENOL, M-

 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.01900 to 1.02500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.479 to 8.529
Refractive Index:1.52900 to 1.53500 @ 20.00 °C.
Melting Point: -4.00 °C. @ 760.00 mm Hg
Boiling Point: 216.00 to 218.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.124000 mmHg @ 25.00 °C. (est)
Flash Point: 202.00 °F. TCC ( 94.44 °C. )
logP (o/w): 2.400
Soluble in:
 alcohol
 water, 3342 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: musty
Odor Description:musty
Flavor Type: phenolic
phenolic burnt truffle
Taste Description: phenolic burnt truffle
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Aceto
3-Ethyl Phenol
BOC Sciences
For experimental / research use only.
3-Ethylphenol
Santa Cruz Biotechnology
For experimental / research use only.
3-Ethylphenol
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Ethylphenol, technical grade, 80%
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 [sex: M,F] M: 252 mg/kg
(Eastman Kodak Co., 1980b)

oral-rat LD50 [sex: M,F] F: 400 mg/kg
(Eastman Kodak Co., 1980b)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents and cosmetic fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.073 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 420 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.500002.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.50000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.300001.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.500002.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 2.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.400002.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf

EPI System: View
NLM Hazardous Substances Data Bank:Search
EPA GENetic TOXicology:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):620-17-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12101
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3145
WGK Germany:3
3-ethylphenol
Chemidplus:0000620177
RTECS:SL4040000 for cas# 620-17-7
 
References:
 3-ethylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:620-17-7
Pubchem (cid):12101
Pubchem (sid):134975814
Flavornet:620-17-7
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C14386
HMDB (The Human Metabolome Database):HMDB59873
FooDB:FDB029696
Export Tariff Code:2907.19.2000
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee - up to 1.4 mg/kg
Search PMC Picture
 
Synonyms:
 benzene, 1-ethyl-3-hydroxy-
meta-ethyl phenol
1-ethyl-3-hydroxybenzene
3-ethyl-phenol
3-ethylbenzolol
3-ethylphenol
m-ethylphenol
meta-ethylphenol
1-hydroxy-3-ethyl benzene
1-hydroxy-3-ethylbenzene
 phenol, 3-ethyl-
 phenol, m-ethyl-
 
 
Notes:
Flavouring compound [Flavornet]
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