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isopropyl 2-methyl butyrate

Chemical Structure

General Material Information

Preferred name isopropyl 2-methyl butyrate
Trivial Name Isopropyl 2-methylbutanoate
Short Description isopropyl 2-methylbutyrate
Formula C8 H16 O2
CAS Number 66576-71-4
FEMA Number 3699
Flavis Number 9.547
ECHA Number 266-411-4
FDA UNII 3429OS9G6T
Nikkaji Number J183.079A
MDL MFCD00085203
xLogP3-AA 2.30 (est)
NMR Predictor External link
JECFA Food Flavoring 210 isopropyl 2-methylbutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 66576-71-4 ; ISOPROPYL 2-METHYLBUTYRATE
Synonyms
  • butanoic acid, 2-methyl-, 1-methylethyl ester
  • butyric acid, 2-methyl-, 1-methylethyl ester
  • 1-methyl ethyl 2-methyl butanoate
  • 1-methylethyl 2-methylbutanoate
  • propan-2-yl 2-methylbutanoate
  • iso propyl 2 methyl butyrate
  • iso propyl 2-methyl butanoate
  • iso propyl 2-methylbutanoate
  • iso propyl 2-methylbutyrate
  • iso propyl methyl-2-butyrate
  • iso- propyl-2-methylbutyrate
  • strawberry butyrate
  • Isopropyl 2-methylbutanoate
  • 2-Methylbutanoic acid 1-methylethyl ester
  • Isopropyl 2-methylbutyrate
  • 1-Methylethyl 2-methylbutanoate

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
HMDB (The Human Metabolome Database):HMDB39217
FooDB:FDB018749
Export Tariff Code:2915.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 144.21391296387
Specific gravity @ 25 °C
Pounds per Gallon 7.048 to 7.098
Refractive Index 1.393 to 1.399 @ 20 °C
Boiling Point 140 to 144°C @ 727 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 5.102 mmHg @ 25 °C
Vapor Density 4.9
Flash Point TCC Value 32.78 °C TCC
logP (o/w) 2.511 est
Solubility
alcohol Yes
water, 412.1 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic Good
powder detergent Good
soap Good
toiletry Good
antiperspirant spray Moderate
liquid bleach Poor

Organoleptic Properties

Odor Type: Fruity
fruity, green, ethereal, dusty, tutti frutti, tropical, coconut, herbal, sweet, oily, pineapple
Odor strength medium
Substantivity < 1 hour(s) at 100.00 %
Luebke, William tgsc, (2021) At 100.00 %. fruity green ethereal dusty tutti frutti tropical coconut herbal
Mosciano, Gerard P&F 18, No. 3, 53, (1993) Fruity, sweet, green, oily, etherial and lifting, tropical with a pineapple nuance
Flavor Type: Fruity
fruity, green, ethereal, apple skin, pineapple, tutti frutti, chamomile, citrus, sweet, apple
Luebke, William tgsc, (2021) Fruity green ethereal apple skin pineapple tutti frutti chamomile citrus
Mosciano, Gerard P&F 18, No. 3, 53, (1993) At 10.00 ppm. Fruity, sweet, apple, pineapple, green, with tutti frutti citrus nuances
General comment Fresh fruity, sweet; apple, pineapple, tutti frutti with citrus nuances
In flavors it enhances the natural impression in pineapple, apple, strawberry, citrus, berry and tropical compositions. Sweet-fruity, with pineapple and citrus nuances

Occurrences

Potential Uses

Applications
Odor purposes Apple, Berry, Citrus, Green, Pear, Pineapple, Strawberry, Valerian
Flavoring purposes Fruit tropical fruit, Valerian

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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
Recommendation for isopropyl 2-methyl butyrate usage levels up to:
2.0000 % 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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: -10.00000
cheese: --
chewing gum: -20.00000
condiments / relishes: --
confectionery froastings: -10.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -15.00000
gelatins / puddings: -10.00000
granulated sugar: --
gravies: --
hard candy: -15.00000
imitation dairy: -10.00000
instant coffee / tea: --
jams / jellies: -5.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -1.00000
snack foods: -20.00000
soft candy: -15.00000
soups: --
sugar substitutes: --
sweet sauces: -5.00000

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):66576-71-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :522214
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
propan-2-yl 2-methylbutanoate
Chemidplus:0066576714