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3-Methylpentanoic acid

3-Methylpentanoic acid structure

CAS No:
105-43-1
Formula:
C6H12O2
Chemical Name:
3-Methylpentanoic acid
Synonyms:
Pentanoic acid,3-methyl-;Valeric acid,3-methyl-;Valeric acid,β-methyl-;3-Methylpentanoic acid;β-Methylvaleric acid;3-Methylvaleric acid;3-Methyl-n-valeric acid;22160-40-3
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

3-Methylvaleric Acid is a flavouring ingredient.

sour, herbaceous, slightly green odour

3-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 3. It has a role as a plant metabolite, an animal metabolite, a fungal metabolite and a flavouring agent. It is a methyl-branched fatty acid, a short-chain fatty acid, a branched-chain saturated fatty acid and a monocarboxylic acid. It is a conjugate acid of a 3-methylvalerate.

3-Methylpentanoic acid Basic Attributes

Molecular Weight：

116.16

Exact Mass：

116.16

BRN：

1720696

EC Number：

203-297-7

HScode：

29159080

Characteristics

PSA：

37.3

XLogP3：

1.6

Appearance：

sour, herbaceous, slightly green odour

Density：

0.9262 g/cm³ @ Temp: 20 °C

Melting Point：

-41.6 °C

Boiling Point：

193-196 °C @ Press: 743 Torr

Flash Point：

185 °F

Refractive Index：

1.425

Water Solubility：

H2O: insoluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.147mmHg at 25°C

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

Marks：

Hazard note：

Corrosive

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): 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 1458 companies from 5 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-methylvalerate

3-Methylpentanoic acid Use and Manufacturing

Methods of Manufacturing

Prepared from sec-butyl diethyl malonate.

Uses

Used in organic synthesis.

Manufacturing Info：

Pentanoic acid, 3-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
XLogP3:1.6
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

Recommended Suppliers of 3-Methylpentanoic acid

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

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DL-3-Methylvaleric acid

CAS No.: 105-43-1

Content: 99.00%

Inquiry
Greenbo Biochem Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED Intermediates

DL-3-Methylvaleric acid 99% high purity certified Professional producer Greenbo

CAS No.: 105-43-1

Grade: Food Grade

Content: 99%

Inquiry
NANTONG REFORM PETRO-CHEMICAL CO.,LTD Contact Supplier

CN
4 YRS

Business licensed Certified factory

Manufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment Chemicals

DL-3-Methylvaleric acid 105-43-1

CAS No.: 105-43-1

Grade: Industrial Grade

Content: 99%

Inquiry

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Guide of 3-Methylpentanoic acid

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

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