Basic information Safety Supplier Related
ChemicalBook >  Product Catalog >  Flavors and fragrances >  Synthetic fragrances >  Carboxylic acids and esters >  Aliphatic dicarboxylic acid esters >  3-Methylbutyl 3-methylbutanoate

3-Methylbutyl 3-methylbutanoate

Basic information Safety Supplier Related

3-Methylbutyl 3-methylbutanoate Basic information

Product Name:
3-Methylbutyl 3-methylbutanoate
Synonyms:
  • (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
  • Isoamyl valerianate
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
More
Less

3-Methylbutyl 3-methylbutanoate Chemical Properties

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
Flash point:
152 °F
storage temp. 
Sealed in dry,Room Temperature
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)
More
Less

Safety Information

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

MSDS

More
Less

3-Methylbutyl 3-methylbutanoate Usage And Synthesis

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.

Occurrence

Reported found in the ether oil from leaves of Eucalyptus microcorys, angelica root oil and mastic gum leaf and fruit oils. Also reported in wine, oil of hop, olive oil, banana, tomato, peppermint and spearmint oil, beer, rum, whiskies, cider, sherry, plum, quince, cherimoya and lamb’s lettuce.

Uses

As apple essence for flavoring liqueurs and candy.

Preparation

By passing vapors of isoamyl alcohol and isovaleric aldehyde over a copper–uranium-based catalyst at 240 to 280°C in the presence of hydrogen

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

Synthesis Reference(s)

The Journal of Organic Chemistry, 52, p. 4319, 1987 DOI: 10.1021/jo00228a032

3-Methylbutyl 3-methylbutanoateSupplier

J & K SCIENTIFIC LTD.
Tel
010-82848833- ;010-82848833-
Email
jkinfo@jkchemical.com;market6@jkchemical.com
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
21-61259100-
Email
sh@meryer.com
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386 / 800-988-0390
Email
Sales-CN@TCIchemicals.com
Energy Chemical
Tel
021-58432009-
Email
sales8178@energy-chemical.com
Adamas Reagent, Ltd.
Tel
400-600-9262
Email
bxy@titansci.com