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(E,E)-sorbyl isobutyrate

Chemical Structure

General Material Information

Preferred name (E,E)-sorbyl isobutyrate
Trivial Name (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate
Short Description 2-methyl propanoic acid (E,E)-2,4-hexadienyl ester
Formula C10 H16 O2
CAS Number 73545-16-1
FDA UNII 443XQL39UP
Nikkaji Number J453.399B
xLogP3-AA 2.70 (est)
NMR Predictor External link
Synonyms
  • [(2E,4E)- hexa-2,4-dienyl] 2-methylpropanoate
  • (E,E)-2,4-hexadien-1-yl isobutyrate
  • (E,E)-2,4-hexadienyl 2-methyl propanoate
  • (E,E)-2,4-hexadienyl 2-methylpropanoate
  • (E,E)-2,4-iso hexadienyl butyrate
  • 2,4-hexadienyl isobutyrate, (2E,4E)-
  • 2-methyl propanoic acid (E,E)-2,4-hexadienyl ester
  • propanoic acid, 2-methyl-, (2E,4E)-2,4-hexadien-1-yl ester
  • propanoic acid, 2-methyl-, (2E,4E)-2,4-hexadienyl ester
  • propanoic acid, 2-methyl-, 2,4-hexadienyl ester, (E,E)-
  • trans,trans- sorbyl isobutyrate
  • [(2E,4E)-hexa-2,4-dienyl] 2-methylpropanoate
  • (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 168.2359161377
Solubility
water, 93.91 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Green
green, fruity, galbanum, apple, pear, pineapple
General comment At 100.00 %. green fruity galbanum apple pear pineapple

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:
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

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):73545-16-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5978897
National Institute of Allergy and Infectious Diseases:Data
[(2E,4E)-hexa-2,4-dienyl] 2-methylpropanoate
Chemidplus:0073545161