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Home › Product Catalog › 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate

1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate

CAS 7774-65-4C14H24O2MW 224.34

1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate (CAS 7774-65-4) — formula C14H24O2, molecular weight 224.34; category organic chemicals.

Product Overview

CAS Number7774-65-4
Molecular FormulaC14H24O2
Molecular Weight224.34
Boiling Point242.00 °C. @ 760.00 mm Hg
LogP3.5
CategoryOrganic Chemicals

Technical Profile

What this product is

1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate is a carbon-based organic compound with CAS registry number 7774-65-4 and molecular formula C14H24O2 (molecular weight 224.34), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 7774-65-4

Its molecular formula C14H24O2 comprises 14 C, 24 H, 2 O atoms.

Also known as: 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate · 甲位异丁酸松油酯 · Terpinyl isobutyrate

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate?

The CAS registry number of 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate is 7774-65-4.

What is the molecular formula and molecular weight of 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate?

Molecular formula C14H24O2, molecular weight 224.34.

What other names is 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate known by?

It is also registered under: 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate, 甲位异丁酸松油酯, Terpinyl isobutyrate.

Which category does 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 1-methyl-1-(4-methylcyclohex-3-enyl)ethyl isobutyrate (CAS 7774-65-4), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number7774-65-4
PubChem CID522673
Molecular formulaC14H24O2
Molecular weight224.18 g/mol
IUPAC name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate
InChIKeySMQUXKIIXFOJKI-UHFFFAOYSA-N
UNII (FDA)Z55SZR66DG
ChEBI IDCHEBI:171786
FEMA number3050
JECFA number371

Computed descriptors

Molecular Weight224.34
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass224.177630004
Monoisotopic Mass224.177630004
Topological Polar Surface Area26.3
Heavy Atom Count16

Physicochemical values on record

Boiling Point242.00 °C. @ 760.00 mm Hg
Boiling Point242 °C
Density0.931-0.942
Refractive Index1.457-1.463

Documented uses on record

    Flavoring Agents -> JECFA Flavorings IndexFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    Terpinyl isobutyrate; 7774-65-4; 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate; FEMA No. 3050; P-Menth-1-en-8-yl isobutyrate; .alpha.-Terpinyl isobutyrate; alpha-terpinyl isobutyrate; Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester; UNII-Z55SZR66DG; EINECS 231-878-5; Z55SZR66DG; BRN 3129659; p-menth-1-en-8-yl-isobutyrate; 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 2-methylpropanoate; .alpha.-Terpinyl ester of isobutanoic acid; DTXSID50864114

    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
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary7.3% (103 / 1413)

    GHS hazard classification

    GHS notification summary7.3% (103 / 1413)
    Reported hazard statementsH315 (92.7%), H319 (92.7%)

    This chemical does not meet GHS hazard criteria for 7.3% (103 of 1413) of reports.

    H315 (92.7%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    Terpinyl isobutyrate is identified by CAS 7774-65-4, molecular formula C14H24O2 and molecular weight 224.18 g/mol. UNII Z55SZR66DG; ChEBI 171786; InChIKey SMQUXKIIXFOJKI-UHFFFAOYSA-N. Boiling Point: 242.00 °C. @ 760.00 mm Hg; Boiling Point: 242 °C; Density: 0.931-0.942.

    Physical description and handling notes

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

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