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pseudocyclocitral
2,2,4-trimethyl-3-cyclohexene-1-carbaldehyde

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Name:2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
CAS Number: 1726-47-2Picture of molecule3D/inchi
Other(deleted CASRN):127128-60-3
FDA UNII: 76F73P1ELR
Nikkaji Web:J133.180I
CoE Number:11849
XlogP3-AA:2.00 (est)
Molecular Weight:152.23672000
Formula:C10 H16 O
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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Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 197.00 to 198.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.382000 mmHg @ 25.00 °C. (est)
Flash Point: 148.00 °F. TCC ( 64.44 °C. )
logP (o/w): 2.879 (est)
Soluble in:
 alcohol
 water, 111.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 pseudocyclocitral 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):1726-47-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :102680
National Institute of Allergy and Infectious Diseases:Data
2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
Chemidplus:0001726472
 
References:
 2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1726-47-2
Pubchem (cid):102680
Pubchem (sid):135057792
 
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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
pseudo-cyclocitral
3-cyclohexene-1-carboxaldehyde, 2,2,4-trimethyl-
2,2,4-trimethyl-3-cyclohexene-1-carbaldehyde
2,2,4-trimethyl-3-cyclohexene-1-carboxaldehyde
1,3,3-trimethylcyclohex-1-ene-4-carboxaldehyde, (+,-)-
2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
 
 
Notes:
None found
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