woody amylene
2-heptanone, 3,5,6,6-tetramethyl-4-methylene-
 
Notes:
None found
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      Product(s):
      86115-11-9 3,4,5,6,6-Pentamethylhept-3-en-2-one
       
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CAS Number: 86115-11-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 289-194-8
FDA UNII: 2LWQ06RVCD
Nikkaji Web: J296.125C
XlogP3-AA: 3.70 (est)
Molecular Weight: 182.30654000
Formula: C12 H22 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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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: 231.00 to  232.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.064000 mmHg @ 25.00 °C. (est)
Flash Point: 174.00 °F. TCC ( 79.10 °C. ) (est)
logP (o/w): 3.677 (est)
Soluble in:
 alcohol
 water, 14.27 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
3,4,5,6,6-Pentamethylhept-3-en-2-one
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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: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for woody amylene 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 : 3019018
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3,4,5,6,6-pentamethylhept-3-en-2-one
Chemidplus: 0086115119
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References:
 3,4,5,6,6-pentamethylhept-3-en-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 86115-11-9
Pubchem (cid): 3019018
Pubchem (sid): 135249743
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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
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
 not found in nature
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Synonyms:
2-heptanone, 3,5,6,6-tetramethyl-4-methylene-
3,4,5,6,6-pentamethyl hept-3-en-2-one
3,4,5,6,6-pentamethyl-3-hepten-2-one
3,4,5,6,6-pentamethylhept-3-en-2-one
3,5,6,6-tetramethyl-4-methyleneheptan-2-one
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