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propyl (2E,4Z)-deca-2,4-dienoate

General Material Information

Trival Name propyl (2E,4Z)-deca-2,4-dienoate
Short Description propyl (2E,4Z)-2,4-decadienoate
Formula C13 H22 O2
CAS Number 28316-62-3
ECHA Number 248-960-1
FDA UNII 2EEE2O3TE8
COE Number 10889
xLogP3-AA 4.50 (est)
NMR Predictor External link
Flavis Number 9.287
Applications
  • flavoring agents
Synonyms
  • (2E,4Z)- decadienoic acid propyl ester
  • (E,Z)-2,4- decadienoic acid propyl ester
  • 2,4- decadienoic acid, propyl ester, (2E,4Z)-
  • 2,4- decadienoic acid, propyl ester, (E,Z)-
  • propyl (2E,4Z)-2,4-decadienoate
  • propyl (2E,4Z)-deca-2,4-dienoate
  • (E,Z)- propyl 2,4-decadienoate
  • propyl trans,cis-2,4-decadienoate
  • propyl trans-2,cis-4-decadienoate

Occurrences

pear fruit

Potential Uses

Flavoring purposes Pear

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

propyl (2E,4Z)-deca-2,4-dienoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:28316-62-3
Pubchem (cid):6438200
Pubchem (sid):135077551

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 210.31674194336
Specific gravity @ 25 °C
Pounds per Gallon 7.597 to 7.647
Refractive Index 1.468 to 1.475 @ 20 °C
Boiling Point 276 to 278°C @ 760 mm Hg
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 127.78 °C TCC
logP (o/w) 4.963 est
Solubility
alcohol Yes
water, 2.769 mg/L @ 25 °C (est) Yes
water No

Safety Information

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:
flavoring agents
Recommendation for propyl (E,Z)-2,4-decadienoate usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (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):

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
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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)
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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
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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
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EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6438200
National Institute of Allergy and Infectious Diseases:Data
propyl (2E,4Z)-deca-2,4-dienoate
Chemidplus:0028316623