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butyl (E,Z)-2,4-decadienoate
butyl deca-(2E,4Z)-dienoate

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Flavor Demo Formulas
Name:butyl (2E,4Z)-deca-2,4-dienoate
CAS Number: 28369-24-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:248-994-7
CoE Number:10529
XlogP3-AA:4.90 (est)
Molecular Weight:224.34368000
Formula:C14 H24 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Only (2E,4Z)-isomer (EFFA, 2010a). The Register name to be changed accordingly. (CASrn in Register refers to the (2E,4Z)-isomer).
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
DG SANTE Food Flavourings:09.326 butyl deca-(2E,4Z)-dienoate
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.89300 to 0.89900 @ 25.00 °C.
Pounds per Gallon - (est).: 7.431 to 7.481
Refractive Index:1.48000 to 1.48600 @ 20.00 °C.
Boiling Point: 298.00 to 300.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 280.00 °F. TCC ( 137.78 °C. )
logP (o/w): 5.473 (est)
Soluble in:
 alcohol
 water, 0.889 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Butyl (2E,4Z)-2,4-decadienoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
View page or View pdf

Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6438203
National Institute of Allergy and Infectious Diseases:Data
butyl (2E,4Z)-deca-2,4-dienoate
Chemidplus:0028369246
 
References:
 butyl (2E,4Z)-deca-2,4-dienoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:28369-24-6
Pubchem (cid):6438203
Pubchem (sid):135077712
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 apple from 0.2 to 0.3 mg/kg
 pear
 brandy pear brandy
 
Synonyms:
 butyl (2E,4Z)-2,4-decadienoate
 butyl (2E,4Z)-deca-2,4-dienoate
 butyl (trans,cis)-2,4-decadienoate
 butyl deca-(2E,4Z)-dienoate
(E,Z)-2,4-decadienoic acid butyl ester
2,4-decadienoic acid, butyl ester, (2E,4Z)-
2,4-decadienoic acid, butyl ester, (E,Z)-
 

Articles:

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Notes:
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