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Methyl Cyclohexanecarboxylate

CAS 4630-82-4C8H14O2MW 142.10 g/mol

Methyl Cyclohexanecarboxylate (CAS 4630-82-4) — formula C8H14O2, molecular weight 142.10 g/mol; category organic chemicals.

Product Overview

CAS Number4630-82-4
Molecular FormulaC8H14O2
Molecular Weight142.10 g/mol
Boiling Point183.00 °C. @ 760.00 mm Hg
LogP2.2
CategoryOrganic Chemicals

Technical Profile

What this product is

Methyl Cyclohexanecarboxylate is a carbon-based organic compound with CAS registry number 4630-82-4 and molecular formula C8H14O2 (molecular weight 142.10 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 4630-82-4

Its molecular formula C8H14O2 comprises 8 C, 14 H, 2 O atoms.

Also known as: Methyl Cyclohexanecarboxylate · 环己甲酸甲酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Methyl Cyclohexanecarboxylate?

The CAS registry number of Methyl Cyclohexanecarboxylate is 4630-82-4.

What is the molecular formula and molecular weight of Methyl Cyclohexanecarboxylate?

Molecular formula C8H14O2, molecular weight 142.10 g/mol.

What other names is Methyl Cyclohexanecarboxylate known by?

It is also registered under: Methyl Cyclohexanecarboxylate, 环己甲酸甲酯.

Which category does Methyl Cyclohexanecarboxylate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Methyl Cyclohexanecarboxylate (CAS 4630-82-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number4630-82-4
PubChem CID20748
Molecular formulaC8H14O2
Molecular weight142.10 g/mol
IUPAC namemethyl cyclohexanecarboxylate
InChIKeyZQWPRMPSCMSAJU-UHFFFAOYSA-N
UNII (FDA)96144H696Q
ChEBI IDCHEBI:88845
FEMA number3568
JECFA number962

Computed descriptors

Molecular Weight142.20
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass142.099379685
Monoisotopic Mass142.099379685
Topological Polar Surface Area26.3
Heavy Atom Count10

Physicochemical values on record

Boiling Point183.00 °C. @ 760.00 mm Hg
Boiling Point183 °C
Density0.990-0.999
Refractive Index1.439-1.447

Documented uses on record

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

    Synonyms and trade names

    Methyl cyclohexanecarboxylate; 4630-82-4; Methyl cyclohexanoate; Hexahydrobenzoic acid methyl ester; CYCLOHEXANECARBOXYLIC ACID, METHYL ESTER; Methyl cyclohexylcarboxylate; Methyl cyclohexylformate; Methyl hexahydrobenzoate; vanilla carboxylate; FEMA No. 3568; BRN 1306359; 96144H696Q; Methyl ester of cyclohexanecarboxylic acid; DTXSID9074303; CHEBI:88845; FEMA 3568

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Ester, Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary8.3% (11 / 133)

    GHS hazard classification

    GHS notification summary8.3% (11 / 133)
    Reported hazard statementsH226 (91.7%)

    This chemical does not meet GHS hazard criteria for 8.3% (11 of 133) of reports.

    H226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]

    What the public record says

    Methyl Cyclohexanecarboxylate is identified by CAS 4630-82-4, molecular formula C8H14O2 and molecular weight 142.10 g/mol. UNII 96144H696Q; ChEBI 88845; InChIKey ZQWPRMPSCMSAJU-UHFFFAOYSA-N. Boiling Point: 183.00 °C. @ 760.00 mm Hg; Boiling Point: 183 °C; Density: 0.990-0.999.

    Physical description and handling notes

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

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