Isovaleric Acid

Product Name:

Isovaleric acid

Synonyms:

isopropyl-aceticaci;Isopropylessigsαure;isovalerianic;Isovalerianic acid;isovalerianicacid;Isovaleriansαure;Kyselina isovalerova;kyselinaisovalerova

CAS:

503-74-2

MF:

C5H10O2

MW:

102.13

EINECS:

207-975-3

Product Categories:

Panax ginseng;Phytochemicals by Plant (Food/Spice/Herb);Pharmaceutical Raw Materials;Artemisia vulgaris;Building Blocks;s wort);C1 to C5;Carbonyl Compounds;Carboxylic Acids;Carthamus tinctorius (Safflower oil);Chemical Synthesis;Humulus lupulus (Hops);Hypericum perforatum (St John′;Nutrition Research;Organic Building Blocks

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)

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

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.

Definition

ChEBI: A C5, branched-chain saturated fatty acid.

Preparation

By oxidation of isoamyl alcohol or isovaleric aldehyde

Aroma threshold values

Detection: 190 ppb to 2.8 ppm

General Description

Isovaleric acid is a colorless liquid with a penetrating odor. Isovaleric acid is slightly soluble in water. Isovaleric acid is corrosive to metals and to tissue.

Air & Water Reactions

Isovaleric acid is slightly soluble in water.

Hazard

Strong irritant to tissue.

Health Hazard

TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.

Preparation Products

Phenvalerate-->VALERATE-->FLUCYTHRINATE-->2-(4-difluoromethoxy)phenyl-3-methyl butyric acid-->brofluthrinate-->Bromisoval-->Ethyl isovalerate

Raw materials

3-Methyl-1-butanol-->Isovaleraldehyde-->MANGANESE(II) ACETATE-->VALERIAN OFFICINALIS