(Z)-beta-ionone
3-buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3Z)-
 
Notes:
None found
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CAS Number: 35031-06-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 252-325-4
Nikkaji Web: J289.881K
XlogP3-AA: 2.90 (est)
Molecular Weight: 192.30160000
Formula: C13 H20 O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 254.00 to  255.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.017000 mmHg @ 25.00 °C. (est)
Flash Point: 250.00 °F. TCC ( 121.30 °C. ) (est)
logP (o/w): 3.589 (est)
Soluble in:
 alcohol
 water, 25.16 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
beta-ionone
(E)-beta-ionone
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
IFRA Critical Effect: Sensitization
IFRA Other Specification: <= 2% Pseudoionone
Recommendation for (Z)-beta-ionone usage levels up to:
 not for fragrance use.
 
Recommendation for (Z)-beta-ionone flavor usage levels up to:
 not for flavor use.
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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 : 12224082
National Institute of Allergy and Infectious Diseases: Data
 (Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Chemidplus: 0035031062
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References:
 (Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 12224082
Pubchem (sid): 135211483
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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
Typical G.C.
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
 balm bastard balm
Search Trop  Picture
 herniaria incana lam. oil greece @ 1.60%
Data  GC  Search Trop  Picture
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Synonyms:
3-buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3Z)-
(Z)-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
(3Z)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
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