(E)-3-octen-2-one
trans-3-octen-2-one
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      18402-82-9 trans-3-Octen-2-one
       
  • Sigma-Aldrich
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CAS Number: 18402-82-9Picture of molecule3D/inchi
FDA UNII: M26AH283XV
Nikkaji Web: J126.518K
MDL: MFCD00015565
XlogP3-AA: 2.30 (est)
Molecular Weight: 126.19878000
Formula: C8 H14 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and 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
FEMA Number: 3416 trans-3-octen-2-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 180.41 °C. @ 760.00 mm Hg (est)
Boiling Point: 100.00 °C. @ 18.00 mm Hg
Vapor Pressure: 0.897000 mmHg @ 25.00 °C. (est)
Flash Point: 130.00 °F. TCC ( 54.00 °C. )
logP (o/w): 2.157 (est)
Soluble in:
 alcohol
 water, 1045 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:
None found
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Suppliers:
Axsyn
For experimental / research use only.
3-Octen-2-one, (3E)-
BOC Sciences
For experimental / research use only.
trans-3-Octen-2-one
Parchem
(E)-3-octen-2-one
Sigma-Aldrich
trans-3-Octen-2-one, ≥98%, stabilized, FG
Odor: berry; butter; lemon; nutty; sweet; earthy; vegetable; spicy; herbaceous
Certified Food Grade Products
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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
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Safety in Use Information:
Category: flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 7
Click here to view publication 7
 average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -0.50000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -2.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -0.50000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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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 : 5363229
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1224
WGK Germany: 3
 (E)-oct-3-en-2-one
Chemidplus: 0001669449
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References:
 (E)-oct-3-en-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5363229
Pubchem (sid): 134980872
Pherobase: View
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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): HMDB33547
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
 barley
Search Trop  Picture
 tea rooibos tea
Search Trop  Picture
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Synonyms:
(3E)-oct-3-en-2-one
(E)-oct-3-en-2-one
trans-oct-3-en-2-one
(3E)-3-octen-2-one
trans-3-octen-2-one
3-octen-2-one, (3E)-
3-octen-2-one, (E)-
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