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

2-methyl-1,3-cyclohexane dione
1,3-cyclohexanedione, 2-methyl-

Supplier Sponsors

Name:2-methylcyclohexane-1,3-dione
CAS Number: 1193-55-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-773-9
FDA UNII: Search
Nikkaji Web:J183.672B
Beilstein Number:1281598
MDL:MFCD00001587
XlogP3-AA:0.60 (est)
Molecular Weight:126.15510000
Formula:C7 H10 O2
BioActivity Summary:listing
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
Google Scholar: with word "flavor"Search
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
Boiling Point: 235.70 °C. @ 760.00 mm Hg (est)
Flash Point: 187.00 °F. TCC ( 85.90 °C. ) (est)
logP (o/w): -0.390 (est)
Soluble in:
 water, 1.794e+004 mg/L @ 25 °C (est)
 
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-cyclohexanedione 95%
EMD Millipore
For experimental / research use only.
2-Methyl-1,3-cyclohexanedione
Endeavour Specialty Chemicals
2-Methyl-1,3-cyclohexanedione
Speciality Chemical Product Groups
Robinson Brothers
2-Methyl-1,3-cyclohexanedione
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-methyl-1,3-Cyclohexanedione
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methyl-1,3-cyclohexanedione 97%
TCI AMERICA
For experimental / research use only.
2-Methyl-1,3-cyclohexanedione >98.0%(GC)(T)
 
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 2-methyl-1,3-cyclohexane dione usage levels up to:
 not for fragrance use.
 
Recommendation for 2-methyl-1,3-cyclohexane dione flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :70945
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methylcyclohexane-1,3-dione
Chemidplus:0001193551
 
References:
 2-methylcyclohexane-1,3-dione
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):70945
Pubchem (sid):135026245
 
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):Search
Export Tariff Code:2914.29.5000
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
 found in nature
 
Synonyms:
1,3-cyclohexanedione, 2-methyl-
2-methyl cyclohexane-1,3-dione
2-methyl-1,3-cyclohexanedione
2-methylcyclohexane-1,3-dione
 

Articles:

PubMed:Palladium-Catalyzed Cross-Coupling of 2,5-Cyclohexadienyl-Substituted Aryl or Vinylic Iodides and Carbon or Heteroatom Nucleophiles.
PubMed:Conformational transformation coupled with the order-disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals. erratum
PubMed:Conformational transformation coupled with the order-disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals.
PubMed:New initiator system for bonding to dentin using methylcyclohexanedione.
PubMed:Protection of Escherichia coli against radiation damage by 2-methyl-1,3-cyclohexanedione and some related compounds.
 
Notes:
None found
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