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2-Methylpentanoic acid

CAS 97-61-0C6H12O2MW 116.16

2-Methylpentanoic acid (CAS 97-61-0) — formula C6H12O2, molecular weight 116.16; category organic chemicals.

Product Overview

CAS Number97-61-0
Molecular FormulaC6H12O2
Molecular Weight116.16
Boiling Point196-197 °C
LogP1.8
CategoryOrganic Chemicals

Technical Profile

What this product is

2-Methylpentanoic acid is a carbon-based organic compound with CAS registry number 97-61-0 and molecular formula C6H12O2 (molecular weight 116.16), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 97-61-0

Its molecular formula C6H12O2 comprises 6 C, 12 H, 2 O atoms.

Also known as: 2-Methylpentanoic acid · 二氢草莓酸 · 2-METHYLVALERIC ACID

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 2-Methylpentanoic acid?

The CAS registry number of 2-Methylpentanoic acid is 97-61-0.

What is the molecular formula and molecular weight of 2-Methylpentanoic acid?

Molecular formula C6H12O2, molecular weight 116.16.

What other names is 2-Methylpentanoic acid known by?

It is also registered under: 2-Methylpentanoic acid, 二氢草莓酸, 2-METHYLVALERIC ACID.

Which category does 2-Methylpentanoic acid belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 2-Methylpentanoic acid (CAS 97-61-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number97-61-0
PubChem CID7341
Molecular formulaC6H12O2
Molecular weight116.08 g/mol
IUPAC name2-methylpentanoic acid
InChIKeyOVBFMEVBMNZIBR-UHFFFAOYSA-N
UNII (FDA)26A19CG6J9
ChEBI IDCHEBI:167644
FEMA number2754
JECFA number261

Computed descriptors

Molecular Weight116.16
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass116.083729621
Monoisotopic Mass116.083729621
Topological Polar Surface Area37.3
Heavy Atom Count8

Physicochemical values on record

Boiling Point196-197 °C
Density0.919-0.922
Vapor Pressure0.44 [mmHg]
LogP1.8
Refractive Index1.411-1.416

Documented uses on record

    Used as flavoring agent or adjuvant; [FDA]Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    2-Methylpentanoic acid; 2-METHYLVALERIC ACID; 97-61-0; Pentanoic acid, 2-methyl-; 2-Pentanecarboxylic acid; Methylpropylacetic acid; Valeric acid, 2-methyl-; alpha-Methylvaleric acid; FEMA No. 2754; DTXSID9021633; 26A19CG6J9; NSC-8406; DTXCID401633; CHEBI:167644; RefChem:476306; 202-594-9

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Dairy
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary1.5% (24 / 1615)

    GHS hazard classification

    GHS notification summary1.5% (24 / 1615)
    Reported hazard statementsH314 (98.5%), H318 (11.5%)

    This chemical does not meet GHS hazard criteria for 1.5% (24 of 1615) of reports.

    H314 (98.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

    What the public record says

    2-METHYLVALERIC ACID is identified by CAS 97-61-0, molecular formula C6H12O2 and molecular weight 116.08 g/mol. UNII 26A19CG6J9; ChEBI 167644; InChIKey OVBFMEVBMNZIBR-UHFFFAOYSA-N. Boiling Point: 196-197 °C; Density: 0.919-0.922; Vapor Pressure: 0.44 [mmHg].

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 二氢草莓酸

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