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para-Cresyl isovalerate

CAS 55066-56-3C12H16O2MW 192.25

para-Cresyl isovalerate (CAS 55066-56-3) — formula C12H16O2, molecular weight 192.25; category organic chemicals.

Product Overview

CAS Number55066-56-3
Molecular FormulaC12H16O2
Molecular Weight192.25
Boiling Point103 °C (2 mm Hg)
LogP3.5
CategoryOrganic Chemicals

Technical Profile

What this product is

para-Cresyl isovalerate is a carbon-based organic compound with CAS registry number 55066-56-3 and molecular formula C12H16O2 (molecular weight 192.25), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 55066-56-3

Its molecular formula C12H16O2 comprises 12 C, 16 H, 2 O atoms.

Also known as: para-Cresyl isovalerate · 异戊酸对甲苯酯 · p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of para-Cresyl isovalerate?

The CAS registry number of para-Cresyl isovalerate is 55066-56-3.

What is the molecular formula and molecular weight of para-Cresyl isovalerate?

Molecular formula C12H16O2, molecular weight 192.25.

What other names is para-Cresyl isovalerate known by?

It is also registered under: para-Cresyl isovalerate, 异戊酸对甲苯酯, p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate).

Which category does para-Cresyl isovalerate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for para-Cresyl isovalerate (CAS 55066-56-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number55066-56-3
PubChem CID62092
Molecular formulaC12H16O2
Molecular weight192.12 g/mol
IUPAC name(4-methylphenyl) 3-methylbutanoate
InChIKeyMVDPTWHTUYDLTL-UHFFFAOYSA-N
UNII (FDA)C8JG0XTQ0Z
ChEBI IDCHEBI:179912
FEMA number3387
JECFA number702

Computed descriptors

Molecular Weight192.25
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass192.115029749
Monoisotopic Mass192.115029749
Topological Polar Surface Area26.3
Heavy Atom Count14

Physicochemical values on record

Boiling Point103 °C (2 mm Hg)
Density0.977-0.987
Refractive Index1.485-1489

Documented uses on record

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

    Synonyms and trade names

    55066-56-3; p-Cresyl isovalerate; p-Tolyl isovalerate; 4-Methylphenyl 3-methylbutanoate; Cresyl isovalerate, p-; p-tolyl 3-methylbutyrate; Tolyl isovalerate, P-; FEMA No. 3387; C8JG0XTQ0Z; Methylphenyl 3-methylbutyrate, p-; Butanoic acid, 3-methyl-, 4-methylphenyl ester; Tolyl 3-methylbutyrate, p-; Cresyl 3-methylbutanoate, p-; NSC 32511; DTXSID6047159; AI3-24274

    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
    Floral
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary59.3% (54 / 91)

    GHS hazard classification

    GHS notification summary59.3% (54 / 91)
    Reported hazard statementsH302 (39.6%)

    This chemical does not meet GHS hazard criteria for 59.3% (54 of 91) of all reports.

    H302 (39.6%): Harmful if swallowed [Warning Acute toxicity, oral]

    What the public record says

    p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) is identified by CAS 55066-56-3, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII C8JG0XTQ0Z; ChEBI 179912; InChIKey MVDPTWHTUYDLTL-UHFFFAOYSA-N. Boiling Point: 103 °C (2 mm Hg); Density: 0.977-0.987; Refractive Index: 1.485-1489.

    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: 异戊酸对甲苯酯

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