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sorbyl isobutyrate

Chemical Structure

General Material Information

Preferred name sorbyl isobutyrate
Trivial Name Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester
Short Description 2,4-hexadienyl isobutyrate
Formula C10 H16 O2
CAS Number 16491-24-0
FEMA Number 4134
ECHA Number 240-551-6
FDA UNII Search
Nikkaji Number J318.214B
xLogP3-AA 2.70 (est)
NMR Predictor External link
JECFA Food Flavoring 1782 2,4-hexadienyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 16491-24-0 ; 2,4-HEXADIENYL ISOBUTYRATE
Synonyms
  • iso butyric acid 2,4-hexadien-1-yl ester
  • iso butyric acid, 2,4-hexadienyl ester
  • hexa-2,4-dien-1-yl 2-methylpropanoate
  • hexa-2,4-dienyl 2-methyl propanoate
  • hexa-2,4-dienyl 2-methylpropanoate
  • hexa-2,4-dienyl isobutyrate
  • hexadien-1-yl isobutyrate
  • 2,4-hexadien-1-yl isobutyrate
  • 2,4-hexadienyl 2-methyl propanoate
  • 2,4-hexadienyl 2-methylpropanoate
  • 2,4-hexadienyl isobutyrate
  • 2-methyl propanoic acid 2,4-hexadienyl ester
  • 2-methylpropanoic acid 2,4-hexadienyl ester
  • propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester
  • Isobutyric acid, 2,4-hexadienyl ester
  • Propanoic acid, 2-methyl-, 2,4-hexadienyl ester
  • 2,4-Hexadien-1-ol, isobutyrate
  • 2,4-Hexadienyl isobutyrate
  • NSC 195147

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

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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
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32313
FooDB:FDB009561
Export Tariff Code:2915.60.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 168.2359161377
Vapor Pressure 0.104 mmHg @ 25 °C
Flash Point TCC Value 82.22 °C TCC
logP (o/w) 3.058 est
Solubility
alcohol Yes
water, 93.91 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, fruity, galbanum, apple, pear, pineapple
Odor strength medium
Substantivity > 1 hour(s) at 100.00 %
General comment At 100.00 %. green fruity galbanum apple pear pineapple

Potential Uses

Applications
Odor purposes Apple, Galbanum, Green, Herbal, Pear, Pineapple
Flavoring purposes Fruit tropical fruit
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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:
oral-rat LD50 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 339, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 339, 1988.

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
Recommendation for sorbyl isobutyrate usage levels up to:
5.0000 % in the fragrance concentrate.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 22
Click here to view publication 22
average usual ppmaverage maximum ppm
baked goods: 0.5000010.00000
beverages(nonalcoholic): 2.0000020.00000
beverages(alcoholic): 2.0000020.00000
breakfast cereal: 0.5000010.00000
cheese: --
chewing gum: 1.0000020.00000
condiments / relishes: --
confectionery froastings: 5.0000025.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.0000020.00000
fruit ices: 1.0000020.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: --
hard candy: 1.0000010.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: --
milk products: 5.0000025.00000
nut products: --
other grains: --
poultry: --
processed fruits: 5.0000025.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.0000020.00000
snack foods: --
soft candy: 1.0000010.00000
soups: --
sugar substitutes: --
sweet sauces: 1.0000025.00000

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):16491-24-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :86015
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
hexa-2,4-dienyl 2-methylpropanoate
Chemidplus:0016491240