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2-methyl-1,3-cyclohexadiene
1,3-cyclohexadiene, 2-methyl-

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Name:2-methylcyclohexa-1,3-diene
CAS Number: 1489-57-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-072-3
FDA UNII: JEA80XDY0N
Nikkaji Web:J206.694G
XlogP3-AA:2.10 (est)
Molecular Weight:94.15670000
Formula:C7 H10
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
FDA Mainterm (SATF):1489-57-2 ; 2-METHYL-1,3-CYCLOHEXADIENE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 107.50 °C. @ 760.00 mm Hg
Vapor Pressure:24.165001 mmHg @ 25.00 °C. (est)
Flash Point: 37.00 °F. TCC ( 2.78 °C. )
logP (o/w): 3.009 (est)
Soluble in:
 alcohol
 water, 54.36 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.
2-Methyl-1,3-cyclohexadiene
 
Safety Information:
 
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:
flavoring agents
Recommendation for 2-methyl-1,3-cyclohexadiene usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1489-57-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :73885
National Institute of Allergy and Infectious Diseases:Data
2-methylcyclohexa-1,3-diene
Chemidplus:0001489572
 
References:
 2-methylcyclohexa-1,3-diene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):73885
Pubchem (sid):135031309
 
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32395
FooDB:FDB009823
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,3-cyclohexadiene, 2-methyl-
4,5-dihydrotoluene
2-methylcyclohexa-1,3-diene
 
 
Notes:
Used as a food additive [EAFUS]
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