1-methyl-1,3-cyclohexadiene
1,3-cyclohexadiene, 1-methyl-
 
Notes:
Flavouring ingredient
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1-methylcyclohexa-1,3-diene (Click)
CAS Number: 1489-56-1Picture of molecule
ECHA EINECS - REACH Pre-Reg: 216-071-8
FDA UNII: NZ9H475GT1
Nikkaji Web: J206.693I
XlogP3-AA: 2.10 (est)
Molecular Weight: 94.15670000
Formula: C7 H10
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
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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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
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Pubchem Patents: Search
JECFA Food Flavoring: 1344  1-methyl-1,3-cyclohexadiene
Flavis Number: 01.077 (Old)
DG SANTE Food Flavourings: 01.077  1-methyl-1,3-cyclohexadiene
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.84600 to 0.85300 @  25.00 °C.
Pounds per Gallon - (est).: 7.040 to  7.098
Refractive Index: 1.44600 to 1.45200 @  20.00 °C.
Boiling Point: 118.00 to  120.00 °C. @ 760.00 mm Hg
Vapor Pressure: 22.283001 mm/Hg @ 25.00 °C. (est)
Flash Point: 39.00 °F. TCC ( 3.89 °C. )
logP (o/w): 3.009 (est)
Soluble in:
 water, 54.36 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Description:
fruity
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
1-Methyl-1,3-cyclohexadiene
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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:
oral-rat LD50  [sex: M,F] > 2000 mg/kg
Acute toxic class method. 2000 mg/kg is only dose tested, no death was observed.
(Felice, 2005)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 1-methyl-1,3-cyclohexadiene usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 313.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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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):
Flavouring Group Evaluation 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 78, Revision 2 (FGE.78Rev2): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic hydrocarbons evaluated by EFSA in FGE.25Rev3
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 1489-56-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 121731
National Institute of Allergy and Infectious Diseases: Data
 1-methylcyclohexa-1,3-diene
Chemidplus: 0001489561
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References:
 1-methylcyclohexa-1,3-diene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1489-56-1
Pubchem (cid): 121731
Pubchem (sid): 135198876
Pherobase: View
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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
HMDB (The Human Metabolome Database): HMDB31532
FooDB: FDB008139
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
1,3-cyclohexadiene, 1-methyl-
2,3-dihydrotoluene
5,6-dihydrotoluene
1-methylcyclohexa-1,3-diene
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Articles:
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