3-Methylbutyl 3-Methylbutanoate

Product Name:

3-Methylbutyl 3-methylbutanoate

Synonyms:

Iso-Amyl Isovalerat;(3-methyl-1-butyl)3-methylbutanoate;3-methyl-butanoicaci3-methylbutylester;3-methyl-butanoicacid3-methyl-butylester;3-methylbutanoicacid3-methylbutylester;Apple oil;Appleoil;Butanoicacid,3-methyl-,3-methylbutylester

CAS:

659-70-1

MF:

C10H20O2

MW:

172.26

EINECS:

211-536-1

Product Categories:

Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;I-L

Mol File:

659-70-1.mol

Melting point 

-58.15°C

Boiling point 

192-193 °C(lit.)

density 

0.854 g/mL at 25 °C(lit.)

vapor pressure 

0.8 hPa (20 °C)

refractive index 

n20/D 1.412(lit.)

FEMA 

2085 | ISOAMYL ISOVALERATE

Fp 

152 °F

storage temp. 

Store below +30°C.

solubility 

0.016g/l

JECFA Number

50

Merck 

14,5121

CAS DataBase Reference

659-70-1(CAS DataBase Reference)

NIST Chemistry Reference

Butanoic acid, 3-methyl-, 3-methylbutyl ester(659-70-1)

EPA Substance Registry System

3-Methylbutyl isovalerate (659-70-1)

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

WGK Germany 

2

RTECS 

NY1508000

HS Code 

2915 60 90

Toxicity

LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

Description

Isoamyl isovalerate has a characteristic fruity odor and a sweet apple-like flavor. May be prepared by passing vapors of isoamyl alcohol and isovaleric aldehyde over a copper uranium based catalyst at 240 - 280°C in the presence of hydrogen.

Chemical Properties

Isoamyl isovalerate has a fruity, sweet, apple, apricot, mango-characteristic fruity odor and sweet-apple-like flavor.

Uses

As apple essence for flavoring liqueurs and candy.

Aroma threshold values

Detection: 20 ppb; aroma characteristics at 1.0% in ethanol: sweet, fruity, green apple and estry.

Taste threshold values

Taste characteristics at 15 ppm: green, fruity, estry, apple, pineapple and tutti-frutti

Raw materials

SULFURIC ACID-->Calcium chloride-->Potassium dichromate-->3-Methyl-1-butanol-->(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline-->FUSEL OIL-->Isovaleraldehyde-->URANIUM