cis-megastigma-5,8-diene-4-one
2-cyclohexen-1-one, 3-(2-butenyl)-2,4,4-trimethyl-, (Z)-
 
Notes:
Constit. of Passiflora edulis (passion fruit)
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CAS Number: 67401-25-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 266-682-9
FDA UNII: HLT92D5DPQ
Nikkaji Web: J127.462G
XlogP3-AA: 3.00 (est)
Molecular Weight: 192.30160000
Formula: C13 H20 O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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US Patents: Search
EU Patents: Search
Pubchem Patents: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 7.986 mg/L @ 25 °C (est)
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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
Recommendation for cis-megastigma-5,8-diene-4-one usage levels up to:
 not for fragrance use.
 
Recommendation for cis-megastigma-5,8-diene-4-one flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 14109911
National Institute of Allergy and Infectious Diseases: Data
 3-[(2Z)-but-2-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
Chemidplus: 0067401256
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References:
 3-[(2Z)-but-2-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 14109911
Pubchem (cas): 67401-25-6
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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): HMDB34671
FooDB: FDB013197
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
 malpighia glabra fruit oil @ 0.10%
Data  GC  Search Trop  Picture
 passion fruit
Search Trop  Picture
 zygophyllum album
Search Trop  Picture
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Synonyms:
3-[(2Z)-but-2-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
(Z)-3-(2-butenyl)-2,4,4-trimethyl cyclohex-2-en-1-one
(Z)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one, (2Z)-
2-cyclohexen-1-one, 3-(2-butenyl)-2,4,4-trimethyl-, (Z)-
2-cyclohexen-1-one, 3-[(2Z)-2-buten-1-yl]-2,4,4-trimethyl-
(Z)-megastigma-5,8-diene-4-one
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Articles:
 None found yet.
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