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p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)

CAS 55066-56-3C12H16O2MW 192.12 g/mol

p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)(CAS 55066-56-3):分子式 C12H16O2、分子量 192.12 g/mol。

产品概览

CAS号55066-56-3
分子式C12H16O2
分子量192.12 g/mol
沸点103 °C (2 mm Hg)
LogP3.5

技术档案

这个产品是什么

p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) 是一种化工化合物,登记 CAS 号为 55066-56-3,分子式 C12H16O2(分子量 192.12 g/mol)。

识别信息

登记 CAS 号:55066-56-3

其分子式 C12H16O2 由 12 个碳、16 个氢、2 个氧 组成。

别名/同义词:p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) · para-Cresyl isovalerate

常见问题

p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) 的 CAS 号是多少?

p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) 的 CAS 登记号为 55066-56-3。

p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) 的分子式与分子量是多少?

分子式 C12H16O2,分子量 192.12 g/mol。

p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) 还有哪些别名?

别名/同义词:p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)、para-Cresyl isovalerate。

PubChem 公开数据

p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)(CAS 55066-56-3)的独立参考数据,整理自公开化学数据库。

各数据库的登记标识

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

计算分子描述符

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

在册的理化数值

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

在册的记载用途

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

    同义词与商品名

    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

    已收录的法规名录

    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 危害分类

    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]

    公开数据库对它的描述

    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.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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