ChemicalBook > CAS DataBase List > 4-Methylvaleric acid

4-Methylvaleric acid

Product Name
4-Methylvaleric acid
CAS No.
646-07-1
Chemical Name
4-Methylvaleric acid
Synonyms
4-METHYLPENTANOIC ACID;PENTANOIC ACID, 4-METHYL-;ISOCAPROIC ACID;ISOHEXANOIC ACID;FEMA 3463;isohexoicacid;isocaproicaci;Isohexoic acid;Isocapronsαure;4-Methylvaleri
CBNumber
CB1483316
Molecular Formula
C6H12O2
Formula Weight
116.16
MOL File
646-07-1.mol
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4-Methylvaleric acid Property

Melting point:
-35 °C
Boiling point:
199-201 °C (lit.)
Density 
0.923 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.414(lit.)
FEMA 
3463 | 4-METHYLPENTANOIC ACID
Flash point:
207 °F
storage temp. 
Store below +30°C.
solubility 
Chloroform (Sparingly), Methanol (Slightly)
pka
4.84(at 18℃)
form 
Liquid
Specific Gravity
0.923
color 
Clear colorless to slightly yellow
Odor
at 1.00 % in propylene glycol. pungent cheese
Odor Type
cheesy
Odor Threshold
0.0004ppm
biological source
synthetic
Water Solubility 
INSOLUBLE
JECFA Number
264
BRN 
1741912
Stability:
Stable. Incompatible with strong bases, strong oxidizing agents.
InChIKey
FGKJLKRYENPLQH-UHFFFAOYSA-N
LogP
1.66
CAS DataBase Reference
646-07-1(CAS DataBase Reference)
NIST Chemistry Reference
Pentanoic acid, 4-methyl-(646-07-1)
EPA Substance Registry System
Pentanoic acid, 4-methyl- (646-07-1)
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Safety

Hazard Codes 
Xn,C
Risk Statements 
21-38-34
Safety Statements 
36/37-45-36/37/39-25
RIDADR 
UN 2810 6.1/PG 3
WGK Germany 
3
RTECS 
NR2975000
F 
13
TSCA 
T
HazardClass 
8
PackingGroup 
III
HS Code 
29159080
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H311Toxic in contact with skin

H314Causes severe skin burns and eye damage

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W346306
Product name
4-Methylpentanoic acid
Purity
≥98%, FCC, FG
Packaging
250g
Price
$201
Updated
2024/03/01
Sigma-Aldrich
Product number
W346306
Product name
4-Methylpentanoic acid
Purity
≥98%, FCC, FG
Packaging
1kg
Price
$458
Updated
2024/03/01
Sigma-Aldrich
Product number
W346306
Product name
4-Methylpentanoic acid
Purity
≥98%, FCC, FG
Packaging
10Kg
Price
$3170
Updated
2024/03/01
Sigma-Aldrich
Product number
277827
Product name
4-Methylvaleric acid
Purity
99%
Packaging
5g
Price
$30.2
Updated
2024/03/01
Sigma-Aldrich
Product number
277827
Product name
4-Methylvaleric acid
Purity
99%
Packaging
25g
Price
$103
Updated
2024/03/01
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4-Methylvaleric acid Chemical Properties,Usage,Production

Description

4-Methylpentanoic acid has an unpleasant sour and penetrating odor.

Chemical Properties

4-Methylpentanoic acid has an unpleasant, sour, penetrating odor.

Chemical Properties

slightly brown liquid

Occurrence

Reported found in apple, roasted barley, beef, prefermented bread, Camembert cheese, Emmenthal cheese, roasted cocoa beans, dry cured ham, hops, roasted pecans, rum, soybeans, black tea, wine, guava, papaya, strawberry fruit and jam, baked potato, bell pepper, tomato, many cheeses, fish, beef, mutton, hop oil, mushrooms, mango, rice, sake, malt, wort, dried bonito and mussels

Uses

4-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2?S)-2?,4?-dimethyl-valeryl)]-2-oxazolidinone. It is a versatile building block used in the synthesis of various pharmaceutical and biologically active compounds, including inhibitors and antagonists. It is involved in the synthesis of novel series of high affinity, functionally potent antagonists of the CCR1 receptor.

Uses

4-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2′S)-2′,4′-dimethyl-valeryl)]-2-oxazolidinone.

Uses

Intermediate for plasticizers, pharmaceuticalsand perfumes.

Application

4-Methylvaleric acid, although identified in Nature, has found very little, if any, use in perfumes or flavors. It is mentioned mainly for the sake of completing the monographs on Methylpentanoic acids.

Definition

ChEBI: A methyl-branched fatty acid that is pentanoic acid with a methyl group substituent at position 4. It is a metabolite of 20 alpha-hydroxycholesterol

Aroma threshold values

Detection: 810 ppb.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 1844, 1975 DOI: 10.1021/jo00900a040

General Description

Conductimetric detection of 4-methylvaleric acid on unfunctionized polymethacrylate resin (TSKgel G3000PWXL) columns has been reported.

4-Methylvaleric acid Preparation Products And Raw materials

Raw materials

CARBON MONOXIDE 3-Methyl-1-butene

Preparation Products

alfa-Bromoisovalericacid 14-METHYLPENTADECANOIC ACID
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View Lastest Price from 4-Methylvaleric acid manufacturers

Hebei Mujin Biotechnology Co.,Ltd
Product
4-Methylvaleric acid 646-07-1
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-09-06
Hebei Zhuanglai Chemical Trading Co Ltd
Product
4-Methylvaleric acid 646-07-1
Price
US $79.00-38.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-12-04
Hebei Chuanghai Biotechnology Co., Ltd
Product
4-Methylvaleric acid 646-07-1
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-10-24

646-07-1, 4-Methylvaleric acidRelated Search:

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  • isobutylaceticacid
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  • Isohexoic acid
  • isohexoicacid
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  • 4-Methylpentanoic acid, Isocaproic acid
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  • 4-Methylvaleric acid, Isocaproic acid
  • (contains 3-Methylvaleric Acid)
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  • 4-Methylvaleric acid 99%
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  • RARECHEM AL BO 0172
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  • methylvalericacid(non-specificname)
  • Valeric acid, 4-methyl-
  • Valericacid,4-methyl-
  • DL-A-ISOCAPROIC ACID
  • FEMA 3463
  • FEMA NUMBER 3463
  • ISOCAPROIC ACID
  • ISOHEXANOIC ACID
  • 4-Methylvalerianic acid
  • 4-METHYLPENTANOIC ACID 98+% FCC
  • 4-Methylvalericacid,99%
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  • 4-METHYLPENTANOIC ACID
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  • 4-METHYL-N-PENTANOIC ACID
  • 4-METHYLVALERIC ACID
  • 3-METHYLBUTANE-1-CARBOXYLIC ACID
  • 4,4-Dimethylbutanoicacid
  • 4-methyl-pentanoicaci
  • 4-Methylpentansαure
  • 4-Methylvaleriansαure
  • acideisohexylique
  • Isobutylacetic acid
  • Natural 4-Methylvaleric acid
  • 4 - methyl valerate
  • 4-MethylvalericAcid&gt
  • 4-MethylvalericAcid(contains3-MethylvalericAcid)&gt
  • isocaproicaci
  • 4-Methylvaleric acid USP/EP/BP
  • 646-07-1 4-Methylvaleric acid
  • Farnesane Impurity 42
  • 4-Methylpentanoic acid, 10 mM in DMSO
  • 646-07-1