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Name	4-Methylvaleric acid	EINECS	211-464-0
CAS No.	646-07-1	Density	0.922
PSA	37.30000	LogP	1.50720
Solubility	INSOLUBLE	Melting Point	-35 ºC
Formula	C6H12 O2	Boiling Point	200 ºC
Molecular Weight	116.16	Flash Point	97 ºC
Transport Information	UN 2810	Appearance	slightly brown liquid
Safety	Moderately toxic by ingestion and skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and fumes.	Risk Codes	R21;R34;R38
Molecular Structure		Hazard Symbols
Synonyms	Valericacid, 4-methyl- (6CI,8CI); 4,4-Dimethylbutanoic acid; 4-Methylpentanoic acid;4-Methylvaleric acid; Isobutylacetic acid; Isocaproic acid; Isohexanoic acid;Isohexoic acid; NSC 4126	Article Data	96

4-Methylvaleric acid Chemical Properties

IUPAC:4-methylpentanoic acid
CAS:646-07-1
The Molecular formula of Isocaproic acid(646-07-1):C₆H₁₂O₂
The Molecular Weight of Isocaproic acid(646-07-1):116.16
Synonyms:RARECHEM AL BO 0172;PENTANOIC ACID, 4-METHYL-;3-methylbutanecarboxylicacid;4,4-Dimethylbutanoic acid;4,4-Dimethylbutanoicacid;4-methyl-pentanoicaci;4-Methylpentansαure;4-Methylvaleriansαure
Density:0.923 g/mL at 25^oC(lit.)
Melting Point:-35^oC
Boiling Point:199-201^oC(lit.)
Flash Point:207^oF
Vapour Pressure:0.131 mmHg at 25^oC
Appearance:slightly brown liquid
EINECS:211-464-0
Stability:Stable.Incompatible with strong bases, strong oxidizing agents.
Mol File:646-07-1.mol

4-Methylvaleric acid Uses

Isocaproic acid(646-07-1) is used as an intermediate in the manufacture of pharmaceuticals, plasticizers and perfumes.

4-Methylvaleric acid Toxicity Data With Reference

1.	skn-rbt 465 mg open MOD	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 2/4 ,1959.
2.	eye-rbt 930 µg MLD	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 2/4 ,1959.
3.	orl-rat LD50:2050 mg/kg	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 2/4 ,1959.
4.	skn-rbt LD50:1050 mg/kg	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 2/4 ,1959.

4-Methylvaleric acid Consensus Reports

Reported in EPA TSCA Inventory.

4-Methylvaleric acid Safety Profile

Moderately toxic by ingestion and skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and fumes.
Safty informations about Isocaproic acid(646-07-1):
Hazard Codes:Xn,C
Risk Statements:21-38-34
21(Harmful in contact with skin)
38(Irritating to the skin)
34(Causes burns)
Safety Statements:36/37-45-36/37/39-25
36/37(Wear suitable protective clothing and gloves)
45(In case of accident or if you feel unwell, seek medical advice immediately (show label where possible))
36/37/39(Wear suitable protective clothing, gloves and eye/face protection)
25(Avoid contact with eyes)
WGK Germany:3
RTECS:NR2975000
F:13
HS Code:29159080
HazardClass:8

4-Methylvaleric acid Specification

Handling and Storage:
Storage:Keep away from sources of ignition. Store in a tightly closed container. Corrosives area. Store in a cool, dry area away from incompatible substances.
Handling:Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well ventilated area. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.

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