Natural 3-Methyl Butyric Acid

Product Name:

Natural 3-methyl butyric acid

CAS:

503-74-2

MF:

C5H10O2

MW:

102.13

EINECS:

207-975-3

Mol File:

503-74-2.mol

Melting point 

-35 °C

Boiling point 

176 °C

density 

0.926

vapor pressure 

0.38 mm Hg ( 20 °C)

FEMA 

3102 | ISOVALERIC ACID

refractive index 

n20/D 1.403(lit.)

Fp 

159 °F

storage temp. 

Store below +30°C.

solubility 

48g/l

pka

4.77(at 25℃)

form 

Liquid

color 

Clear colorless to slightly yellow

Specific Gravity

0.928 (20/20℃)

PH

3.1 (10g/l, H2O, 25℃)

explosive limit

1.5-6.8%(V)

Water Solubility 

25 g/L (20 ºC)

JECFA Number

259

Merck 

14,5231

BRN 

1098522

CAS DataBase Reference

503-74-2(CAS DataBase Reference)

NIST Chemistry Reference

Butanoic acid, 3-methyl-(503-74-2)

EPA Substance Registry System

Isovaleric acid (503-74-2)

Hazard Codes 

C,T

Risk Statements 

34-24-22

Safety Statements 

26-36/37/39-45-38-28A

RIDADR 

UN 3265 8/PG 2

WGK Germany 

1

RTECS 

NY1400000

F 

13

Autoignition Temperature

824 °F

TSCA 

Yes

HS Code 

2915 60 90

HazardClass 

6.1

PackingGroup 

III

Hazardous Substances Data

503-74-2(Hazardous Substances Data)

Toxicity

LD50 i.v. in mice: 1120±30 mg/kg (Or, Wretlind)

Description

Isovaleric acid has a characteristic disagreeable odor. It is extremely penetrating and persistent with a sour taste. May be synthesized by oxidation of isoamyl alcohol or isovaleric aldehyde.

Chemical Properties

Isovaleric acid has a characteristic disagreeable, rancid, cheese-like odor. It is extremely penetrating and persistent with a sour taste. May consist of one or a mixture of isomers or n-pentanoic acid and/or 2- or 3-methyl butanoic acid. Consumption: Annual: 1850.00 lb

Chemical Properties

clear colorless to slightly yellow liquid

Occurrence

Of the three possible isomers of n-valeric acid, only isovaleric acid has extensive application in flavoring; originally reported in seal and dolphin fat; subsequently isolated from valerian. Also reported found in the essential oils of cypress, citronella, laurel leaves, cajeput, Cymbopogon javanensis, hops, Persea pubescens, geranium, American peppermint, spearmint, rosemary, lemongrass, Eucalyptus goniocalyx and other spp., tobacco, Monarda fistulos, Thymus mastichina, Artemisia frigida, and probably in lavender; reported among the constituents of petitgrain lemon. Also reported found in many foods including apple, currants, guava, grapes, papaya, peach, pineapple, raspberry, strawberry, potato, bell pepper, vinegar, breads, many cheeses, fish, chicken, lamb, hop oil, beer, cognac, whiskies, cider, sherry, grape wines, rum, cocoa, tea, coffee, honey, soybean, passion fruit, mushrooms, marjoram, plum, brandy, starfruit, trassi, rice, jackfruit, sake, sukiyaki, buckwheat, corn oil, cashew apple, malt, wort, Bourbon vanilla, shrimp, mussels, cherimoya, Cape gooseberry and Chinese quince frui

Uses

Isovaleric acid is used extensively as a flavoring ingredient in nonalcoholic beverages and in foods such as ice cream, candy, baked goods, and cheese, as a fragrance ingredient in perfumes, and as a chemical intermediate in the manufacture of sedatives and other pharmaceutical products. It is also used as an extractant of mercaptans from petroleum hydrocarbons, a vinyl stabilizer, and as an intermediate in the manufacture of plasticizers and synthetic lubricants.

Uses

In flavors, perfumes, manufacture of sedatives.