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General Material Information

Preferred name isoamyl 2-methyl butyrate
Trivial Name 3-Methylbutyl 2-methylbutanoate
Short Description isoamyl 2-methylbutyrate
Formula C10 H20 O2
CAS Number 27625-35-0
FEMA Number 3505
Flavis Number 9.53
ECHA Number 248-581-1
FDA UNII 7LGN25Y6EK
Nikkaji Number J183.083J
MDL MFCD00048645
COE Number 10721
xLogP3-AA 3.20 (est)
NMR Predictor External link
JECFA Food Flavoring 51 isoamyl 2-methylbutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 27625-35-0 ; ISOAMYL 2-METHYLBUTYRATE
Synonyms
  • iso amyl 2 methyl butyrate
  • iso amyl 2-methyl butanoate
  • iso amyl 2-methyl butyrate natural
  • iso amyl 2-methylbutanoate
  • iso amyl 2-methylbutyrate
  • iso- amyl 2-methylbutyrate
  • iso amyl a-methylbutyrate
  • iso amyl alpha-methyl butyrate
  • iso amyl methyl-2-butyrate
  • iso amyl-2-methyl butyrate
  • iso amyl-2-methylbutyrate
  • iso- amyl-2-methylbutyrate
  • iso amyl-2-methylbutyrate natural
  • butanoic acid, 2-methyl-, 3-methylbutyl ester
  • butyric acid, 2-methyl-, isopentyl ester
  • cherry butyate
  • 2-methyl butanoic acid 3-methyl butyl ester
  • 3-methyl butyl 2-methyl butanoate
  • 3-methyl butyl 2-methyl butyrate
  • 3-methylbutyl 2-methylbutanoate
  • 3-methylbutyl 2-methylbutyrate
  • iso pentyl 2-methyl butanoate
  • iso pentyl 2-methyl butyrate
  • iso pentyl 2-methylbutanoate
  • iso pentyl 2-methylbutyrate
  • Isoamyl 2-methylbutyrate
  • Isopentyl 2-methylbutanoate
  • 3-Methylbutyl 2-methylbutyrate
  • 3-Methylbutyl 2-methylbutanoate
  • Isoamyl 2-methylbutanoate
  • Isoamyl α-methylbutyrate
  • Isopentyl 2-methylbutyrate

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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):HMDB40157
FooDB:FDB019863
Export Tariff Code:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 172.26780700684
Boiling Point 185 to 186°C @ 760 mm Hg
Acid Value 5 max KOH/g
Vapor Pressure 0.713 mmHg @ 25 °C
Vapor Density 5.9
Flash Point TCC Value 75 °C TCC
logP (o/w) 3.53 est
Solubility
alcohol Yes
oils Yes
water, 44.59 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, citrus, cherry, blueberry, apple, winey
General comment At 10.00 % in dipropylene glycol. sweet fruity citrus cherry blueberry apple
Mosciano, Gerard P&F 26, No. 1, 52, (2001) At 1.00 %. Sweet, fruity, cherry, winey with blueberry and apple nuances
Flavor Type: Fruity
sweet, creamy, fruity, apple, winey, cherry, raisin, berry
Mosciano, Gerard P&F 26, No. 1, 52, (2001) At 5.00 - 15.00 ppm. Sweet, creamy, fruity with apple, winey, cherry, raisin and berry nuances

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Blueberry, Citrus, Cognac, Fruit, Grape, Melon, Pear, Plum, Raspberry, Sherry, Strawberry, Valerian, Wine
Flavoring purposes Tropical, Valerian

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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 isoamyl 2-methyl butyrate usage levels up to:
4.0000 % 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: 10
Click here to view publication 10
average usual ppmaverage maximum ppm
baked goods: -50.00000
beverages(nonalcoholic): -29.90000
beverages(alcoholic): -20.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -50.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -29.90000
fruit ices: -29.90000
gelatins / puddings: -29.90000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):27625-35-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :520326
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
3-methylbutyl 2-methylbutanoate
Chemidplus:0027625350