4-Methylpentanoic acid

Modify Date: 2025-08-21 11:13:26

4-Methylpentanoic acid structure	Common Name	4-Methylpentanoic acid
	CAS Number	646-07-1	Molecular Weight	116.158
	Density	0.9±0.1 g/cm3	Boiling Point	201.0±0.0 °C at 760 mmHg
	Molecular Formula	C₆H₁₂O₂	Melting Point	-35 °C
	MSDS	Chinese USA	Flash Point	97.2±0.0 °C
	Symbol	GHS06	Signal Word	Danger

Use of 4-Methylpentanoic acid

4-Methylpentanoic acid (Isocaproic Acid) is a Short chain fatty acid (SCFA)[1].

Name	isocaproic acid
Synonym	More Synonyms

Description	4-Methylpentanoic acid (Isocaproic Acid) is a Short chain fatty acid (SCFA)[1].
Related Catalog	Research Areas >> Others Signaling Pathways >> Others >> Others
References	[1]. Skonieczna-Żydecka K, et al. Faecal Short Chain Fatty Acids Profile is Changed in Polish Depressive Women. Nutrients. 2018 Dec 7;10(12).

Density	0.9±0.1 g/cm3
Boiling Point	201.0±0.0 °C at 760 mmHg
Melting Point	-35 °C
Molecular Formula	C₆H₁₂O₂
Molecular Weight	116.158
Flash Point	97.2±0.0 °C
Exact Mass	116.083733
PSA	37.30000
LogP	1.66
Vapour Pressure	0.1±0.8 mmHg at 25°C
Index of Refraction	1.425
InChIKey	FGKJLKRYENPLQH-UHFFFAOYSA-N
SMILES	CC(C)CCC(=O)O
Stability	Stable. Incompatible with strong bases, strong oxidizing agents.
Water Solubility	INSOLUBLE

4-Methylpentanoic acid MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NR2975000

CHEMICAL NAME :: Isohexanoic acid (mixed isomers)

CAS REGISTRY NUMBER :: 646-07-1

BEILSTEIN REFERENCE NO. :: 1741912

LAST UPDATED :: 199701

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C6-H12-O2

MOLECULAR WEIGHT :: 116.18

WISWESSER LINE NOTATION :: QV2Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2050 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1050 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H311-H315
Precautionary Statements	P280-P312
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	C:Corrosive;Xn:Harmful;
Risk Phrases	R21;R34;R38
Safety Phrases	S36/37-S45-S36/37/39-S25
RIDADR	UN 2810 6.1/PG 3
WGK Germany	3
RTECS	NR2975000
Packaging Group	III
Hazard Class	8
HS Code	29159080

Precursor 10
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HS Code	2915900090
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: autoinducer synthetase family protein [Burkholderia mallei ATCC 23344]
External Id: HMS1126

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Target: HCMV UL50
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Total 3, Current Page 1 of 1

Isocaproic acid

QV2Y1&1

4-Methylvaleric acid

EINECS 211-464-0

4-Methyl-n-valeric acid

MFCD00002803

4-Methylpentanoic acid

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4-Methylpentanoic acid
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-Methylvaleric acid
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 4-Methylpentanoic acid
Price: ￥188.0/25g
Purity: 98.0%
Delivery: 1 Day
Contact: Liu jia
Email: 2130147988@qq.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: 4-Methylpentanoic acid
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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