EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

octyl crotonate
2-butenoic acid, octyl ester

Supplier Sponsors

Name:octyl but-2-enoate
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
 
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 mm/Hg @ 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)
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isoamyl crotonate
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benzyl crotonate
butyl (E)-2-crotonate
citronellyl crotonate
cyclohexyl crotonate
dimethyl benzyl carbinyl crotonate
ethyl (E)-2-crotonate
ethyl crotonate
fig crotonate
geranyl crotonate
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(Z)-3-hexen-1-yl (E)-crotonate
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hexyl (E)-crotonate
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plum crotonate
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isopropyl 3-methyl thiocrotonate
 
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).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Grau Aromatics
OCTYL-CROTONATE
Inoue Perfumery
OCTYL CROTONATE
SRS Aromatics
OCTYL CROTONATE
WholeChem
Octyl crotonate
 
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
 
Safety in Use Information:
Category: fragrance agents
 
Recommendation for octyl crotonate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
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
 
References:
 octyl but-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:22874-79-9
Pubchem (cid):90848
Pubchem (sid):135047968
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
floral
boronia concrete
FL/FR
fruity
cherry oxyacetate
FL/FR
methyl nonane dione
FL/FR
For Flavor
No flavor group found for these
boronia concrete
FL/FR
methyl nonane dione
FL/FR
fruity
fruity
cherry oxyacetate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-butenoic acid octyl ester
2-butenoic acid, octyl ester
 crotonic acid octyl ester
 octyl 2-butenoate
 octyl but-2-enoate
 octyl crotonate
 
 
Notes:
None found
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