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5-methylhexanoic acid

CAS 628-46-6C7H14O2MW 130.18

5-methylhexanoic acid (CAS 628-46-6) — formula C7H14O2, molecular weight 130.18; category organic chemicals.

Product Overview

CAS Number628-46-6
Molecular FormulaC7H14O2
Molecular Weight130.18
Melting Point< -25 °C
Boiling Point216 °C
LogP2.2
CategoryOrganic Chemicals

Technical Profile

What this product is

5-methylhexanoic acid is a carbon-based organic compound with CAS registry number 628-46-6 and molecular formula C7H14O2 (molecular weight 130.18), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 628-46-6

Its molecular formula C7H14O2 comprises 7 C, 14 H, 2 O atoms.

Also known as: 5-methylhexanoic acid · 5-甲基己酸

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 5-methylhexanoic acid?

The CAS registry number of 5-methylhexanoic acid is 628-46-6.

What is the molecular formula and molecular weight of 5-methylhexanoic acid?

Molecular formula C7H14O2, molecular weight 130.18.

What other names is 5-methylhexanoic acid known by?

It is also registered under: 5-methylhexanoic acid, 5-甲基己酸.

Which category does 5-methylhexanoic acid belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 5-methylhexanoic acid (CAS 628-46-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number628-46-6
PubChem CID12344
Molecular formulaC7H14O2
IUPAC name5-methylhexanoic acid
UNII (FDA)N1AK4X34C2
FEMA number3572
JECFA number266

Computed descriptors

Molecular Weight130.18
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area37.3
Heavy Atom Count9

Physicochemical values on record

Boiling Point216 °C
Melting Point< -25 °C
Density0.912 (24 °C)
Refractive Index1.422

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    5-METHYLHEXANOIC ACID; 628-46-6; Isoenanthic acid; 5-Methylcaproic acid; Isoamylacetic acid; Hexanoic acid, 5-methyl-; 5-Methyl hexanoic acid; Isovenanthic acid; 5-methyl-hexanoic acid; 5-Methylhexylic acid; FEMA No. 3572; N1AK4X34C2; DTXSID8044252; NSC-1075; DTXCID6024252; RefChem:103197

    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 summary2.1% (1 / 48)

    GHS hazard classification

    GHS notification summary2.1% (1 / 48)
    Reported hazard statementsH314 (12.5%), H318 (87.5%)

    This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.

    H314 (12.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

    What the public record says

    5-methylhexanoic acid · CAS 628-46-6 · C7H14O2. UNII N1AK4X34C2. Boiling Point: 216 °C; Melting Point: < -25 °C; Density: 0.912 (24 °C).

    Physical description and handling notes

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

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中文页面: 5-甲基己酸

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