p-Tolyl isobutyrate

Name: p-Tolyl isobutyrate
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160485

CAS 103-93-5C11H14O2MW 178.10 g/mol

p-Tolyl isobutyrate (CAS 103-93-5) — formula C11H14O2, molecular weight 178.10 g/mol.

Specifications

CAS Number103-93-5

Molecular FormulaC11H14O2

Molecular Weight178.10 g/mol

Boiling Point237 °C

LogP3.2

Purchase Profile

What this product is

p-Tolyl isobutyrate is a chemical compound with CAS registry number 103-93-5 and molecular formula C11H14O2 (molecular weight 178.10 g/mol).

Identification

CAS number: 103-93-5

Its molecular formula C11H14O2 comprises 11 C, 14 H, 2 O atoms.

Also known as: p-Tolyl isobutyrate · P-cresyl isobutyrate

Frequently Asked Questions

What is the CAS number of p-Tolyl isobutyrate?

The CAS registry number of p-Tolyl isobutyrate is 103-93-5.

What is the molecular formula and molecular weight of p-Tolyl isobutyrate?

Molecular formula C11H14O2, molecular weight 178.10 g/mol.

What other names is p-Tolyl isobutyrate known by?

It is also registered under: p-Tolyl isobutyrate, P-cresyl isobutyrate.

PubChem Public Data

Public-database records for p-Tolyl isobutyrate (CAS 103-93-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	100% (1555 / 1555)

This chemical does not meet GHS hazard criteria for 100% (1555 of 1555) of all reports.

Reported as not meeting GHS hazard criteria by 1555 of 1555 companies. For more detailed information, please visit ECHA C&L website.

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	100% (1555 / 1555)

Physical description and handling notes

Colourless liquid, fruity odour
insoluble in water; soluble in oils
miscible (in ethanol)

Reported physical properties

沸点	237 °C
密度	0.990-0.997
折射率	1.484-1.490

How this substance is indexed

CAS Registry Number	103-93-5
PubChem CID	7685
分子式	C11H14O2
分子量	178.10 g/mol
IUPAC 名称	(4-methylphenyl) 2-methylpropanoate
InChIKey	UPPSFGGDKACIKP-UHFFFAOYSA-N
UNII（FDA）	8H719PT14T
ChEBI 编号	CHEBI:173829
FEMA 编号	3075
JECFA 编号	701

Documented uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Propanoic acid, 2-methyl-, 4-methylphenyl ester: ACTIVE

Names this substance appears under

p-Tolyl isobutyrate; 103-93-5; p-Cresyl isobutyrate; 4-Methylphenyl 2-methylpropanoate; p-Methylphenyl isobutyrate; ISOBUTYRIC ACID, p-TOLYL ESTER; Propanoic acid, 2-methyl-, 4-methylphenyl ester; FEMA No. 3075; Cresyl isobutyrate, p-; p-tolyl 2-methylpropanoate; Tolyl 2-methylpropanoate, p-; BRN 2519560; Proapnoic acid, 2-methyl-, 4-methylphenyl ester; AI3-21545; Methylphenyl 2-methylpropanoate, p-; EINECS 203-159-6

Computed molecular descriptors

分子量	178.23
XLogP3	3.2
氢键供体数	0
氢键受体数	2
可旋转键数	3
精确质量	178.099379685
单同位素质量	178.099379685
拓扑极性表面积	26.3
重原子数	13
形式电荷	0

Database abstract

p-Tolyl isobutyrate is identified by CAS 103-93-5, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII 8H719PT14T; ChEBI 173829; InChIKey UPPSFGGDKACIKP-UHFFFAOYSA-N. 沸点: 237 °C; 密度: 0.990-0.997; Refractive Index: 1.484-1.490.

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

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