octyl crotonate
2-butenoic acid, octyl ester
 
Notes:
None found
  • SRS Aromatics
    • SRS Aromatics Ltd
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  • WholeChem
    • WholeChem, LLC
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      Product(s):
      Octyl crotonate
       
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CAS Number: 22874-79-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 245-279-1
XlogP3: 4.20 (est)
Molecular Weight: 198.30574000
Formula: C12 H22 O2
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 clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 251.00 to  253.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.016800 mmHg @ 25.00 °C. (est)
Flash Point: 245.00 °F. TCC ( 118.33 °C. )
logP (o/w): 7.158 (est)
Soluble in:
 alcohol
 water, 5.496 mg/L @ 25 °C (est)
Similar Items: note
allyl crotonate
isoamyl crotonate
apple crotonate
benzyl crotonate
butyl (E)-2-crotonate
citronellyl crotonate
cyclohexyl crotonate
dimethyl benzyl carbinyl crotonate
ethyl (E)-2-crotonate
ethyl crotonate
fig crotonate
geranyl crotonate
heptyl crotonate
(Z)-3-hexen-1-yl (E)-crotonate
(E)-3-hexen-1-yl crotonate
hexyl (E)-crotonate
phenethyl crotonate
3-phenyl propyl crotonate
plum crotonate
isopropyl (E)-crotonate
propyl crotonate
isopropyl 3-methyl thiocrotonate
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 fruity  hay  winey  mushroom  chemical  
Odor Description:
at 100.00 %. 
fruity with hay quality, winey with mushroom note, slightly harsh and chemical
 
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:
Grau Aromatics
OCTYL-CROTONATE
Inoue Perfumery
OCTYL CROTONATE
SRS Aromatics
OCTYL CROTONATE
WholeChem
Octyl crotonate
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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 octyl crotonate 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 Substance Registry Services (TSCA): 22874-79-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 90848
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 octyl but-2-enoate
Chemidplus: 0022874799
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References:
 octyl but-2-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 22874-79-9
Pubchem (cid): 90848
Pubchem (sid): 135047968
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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
 
For Odor
floral
 boronia concreteFL/FR
fruity
 cherry oxyacetateFL/FR
 methyl nonane dioneFL/FR
 
For Flavor
 
No flavor group found for these
 boronia concreteFL/FR
 methyl nonane dioneFL/FR
fruity
 cherry oxyacetateFL/FR
 
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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-butenoic acid octyl ester
2-butenoic acid, octyl ester
 crotonic acid octyl ester
 octyl 2-butenoate
 octyl but-2-enoate
 octyl crotonate
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