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2-Methylvaleric acid

2-Methylvaleric acid structure

CAS No:
97-61-0
Formula:
C6H12O2
Chemical Name:
2-Methylvaleric acid
Synonyms:
Pentanoic acid,2-methyl-;Valeric acid,2-methyl-;Valeric acid,α-methyl-;2-Methylpentanoic acid;Methylpropylacetic acid;α-Methylvaleric acid;2-Methylvaleric acid;2-Pentanecarboxylic acid;2-Methyl-n-valeric acid;DL-2-Methylpentanoic acid;(±)-2-Methylpentanoic acid;NSC 8406;22160-39-0
Categories:
Cosmetic Ingredient > Perfuming

Description

2-Methylvaleric acid has a powerful, pungent, acrid odor. At concentrations below 10 ppm, it has an agreeable, sour, oily flavor. At higher concentrations the flavor becomes disagreeable because it is too acidic. clear colorless liquid

colourless to pale yellow liquid with a caramel, pungent odour

2-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2. It has a role as a flavouring agent, a plant metabolite and a fragrance. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid, a monocarboxylic acid and a short-chain fatty acid. It is a conjugate acid of a 2-methylvalerate.

2-Methylvaleric acid Basic Attributes

Molecular Weight：

116.16

Exact Mass：

116.16

BRN：

1720655

EC Number：

202-594-9

NSC Number：

8406

DSSTox ID：

DTXSID9021633

HScode：

2915900090

Characteristics

PSA：

37.3

XLogP3：

1.8

Appearance：

colourless to pale yellow liquid with a caramel, pungent odour

Density：

0.920 g/cm³ @ Temp: 25 °C

Melting Point：

120.6-122.4 °C

Boiling Point：

196.5 °C

Flash Point：

196 °F

Refractive Index：

1.425

Water Solubility：

soluble in water(13g/L).

Storage Conditions：

Store below +30°C.

Explosive limit：

1.3-63%(V)

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45-27

RTECS Number：

YV7700000

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (99.26%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 1510 companies from 11 notifications to the ECHA C&L Inventory.|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-methylvalerate

2-Methylvaleric acid Use and Manufacturing

Methods of Manufacturing

Propionaldehyde is formed by aldol condensation under the catalysis of dilute base, and then dehydroxylation, hydrogenation and oxidation.

Uses

FEMA (mg/kg): candy 0.80. Moderately limited (FDA, §172.515, 2000).

Manufacturing Info：

Pentanoic acid, 2-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:116.16
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:78.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 97-61-0

Grade: Food Grade

Content: 99%

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2-METHYLVALERIC ACID

CAS No.: 97-61-0

Grade: industrial Grade

Content: 98%

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Guide of 2-Methylvaleric acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-Methylvaleric acid

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