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4-ethyl pyrocatechol
4-ethyl-1,2-benzenediol

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Name:4-ethylbenzene-1,2-diol
CAS Number: 1124-39-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-397-5
FDA UNII: 574JV8BYR2
Nikkaji Web:J203.362C
MDL:MFCD00015847
XlogP3:0.50 (est)
Molecular Weight:138.16610000
Formula:C8 H10 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 37.00 to 40.00 °C. @ 760.00 mm Hg
Boiling Point: 273.00 to 274.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 105.00 to 107.00 °C. @ 0.50 mm Hg
Vapor Pressure:0.003000 mmHg @ 25.00 °C. (est)
Flash Point: 273.00 °F. TCC ( 134.10 °C. ) (est)
logP (o/w): 1.840 (est)
Soluble in:
 alcohol
 water, 5520 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Ethylcatechol
Carbosynth
For experimental / research use only.
4-Ethylpyrocatechol
Santa Cruz Biotechnology
For experimental / research use only.
4-Ethylcatechol
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Ethylpyrocatechol 95%
 
Safety Information:
Preferred SDS: View
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 4-ethyl pyrocatechol usage levels up to:
 not for fragrance use.
 
Recommendation for 4-ethyl pyrocatechol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :70761
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-ethylbenzene-1,2-diol
Chemidplus:0001124396
 
References:
 4-ethylbenzene-1,2-diol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):70761
Pubchem (sid):135026609
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40174
FooDB:FDB019886
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 roasted coffee
Search PMC Picture
 eggplant leaf
Search Trop Picture
 wood smoke
Search Picture
 
Synonyms:
4-ethyl benzene-1,2-diol
4-ethyl catechol
4-ethyl-1,2-benzene diol
4-ethyl-1,2-benzenediol
4-ethylbenzene-1,2-diol
4-ethylcatecholethylcatechol
4-ethylpyrocatechol
 
 
Notes:
Constit. of roasted coffee. Also isol. from eggplant leaves (Solanum melongena)
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