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

Name: p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160622

CAS 55066-56-3C12H16O2MW 192.12 g/mol

p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) (CAS 55066-56-3) — formula C12H16O2, molecular weight 192.12 g/mol.

Specifications

CAS Number55066-56-3

Molecular FormulaC12H16O2

Molecular Weight192.12 g/mol

Boiling Point103 °C (2 mm Hg)

LogP3.5

Purchase Profile

What this product is

p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) is a chemical compound with CAS registry number 55066-56-3 and molecular formula C12H16O2 (molecular weight 192.12 g/mol).

Identification

CAS number: 55066-56-3

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

Also known as: p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) · para-Cresyl isovalerate

Frequently Asked Questions

What is the CAS number of p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)?

The CAS registry number of p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) is 55066-56-3.

What is the molecular formula and molecular weight of p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)?

Molecular formula C12H16O2, molecular weight 192.12 g/mol.

What other names is p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) known by?

It is also registered under: p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate), para-Cresyl isovalerate.

PubChem Public Data

Public-database records for p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) (CAS 55066-56-3), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	59.3% (54 / 91)
Reported hazard statements	H302 (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]

Regulatory listings

Regulatory & Food Contact	EU 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 summary	59.3% (54 / 91)

Physical description and handling notes

Colourless liquid, tobacco-like, animal, sweet herbaceous odour
insoluble in water; soluble in oils
miscible (in ethanol)

Reported physical properties

沸点	103 °C (2 mm Hg)
密度	0.977-0.987
折射率	1.485-1489

How this substance is indexed

CAS Registry Number	55066-56-3
PubChem CID	62092
分子式	C12H16O2
分子量	192.12 g/mol
IUPAC 名称	(4-methylphenyl) 3-methylbutanoate
InChIKey	MVDPTWHTUYDLTL-UHFFFAOYSA-N
UNII（FDA）	C8JG0XTQ0Z
ChEBI 编号	CHEBI:179912
FEMA 编号	3387
JECFA 编号	702

Documented uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Butanoic acid, 3-methyl-, 4-methylphenyl ester: ACTIVE

Names this substance appears under

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

Computed molecular descriptors

分子量	192.25
XLogP3	3.5
氢键供体数	0
氢键受体数	2
可旋转键数	4
精确质量	192.115029749
单同位素质量	192.115029749
拓扑极性表面积	26.3
重原子数	14
形式电荷	0

Database abstract

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. 沸点: 103 °C (2 mm Hg); 密度: 0.977-0.987; Refractive Index: 1.485-1489.

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

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