o-Tolyl isobutyrate

Name: o-Tolyl isobutyrate
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160486

CAS 36438-54-7C11H14O2MW 178.10 g/mol

o-Tolyl isobutyrate (CAS 36438-54-7) — formula C11H14O2, molecular weight 178.10 g/mol.

Specifications

CAS Number36438-54-7

Molecular FormulaC11H14O2

Molecular Weight178.10 g/mol

Boiling Point107.00 to 108.00 °C. @ 8.00 mm Hg

LogP2.7

Purchase Profile

What this product is

o-Tolyl isobutyrate is a chemical compound with CAS registry number 36438-54-7 and molecular formula C11H14O2 (molecular weight 178.10 g/mol).

Identification

CAS number: 36438-54-7

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

Also known as: o-Tolyl isobutyrate · Propanoic acid, 2-methyl-, 2-methylphenyl ester

Frequently Asked Questions

What is the CAS number of o-Tolyl isobutyrate?

The CAS registry number of o-Tolyl isobutyrate is 36438-54-7.

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

Molecular formula C11H14O2, molecular weight 178.10 g/mol.

What other names is o-Tolyl isobutyrate known by?

It is also registered under: o-Tolyl isobutyrate, Propanoic acid, 2-methyl-, 2-methylphenyl ester.

PubChem Public Data

Public-database records for o-Tolyl isobutyrate (CAS 36438-54-7), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	100% (89 / 89)

This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.

Reported as not meeting GHS hazard criteria by 89 of 89 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 No safety concern at current levels of intake when used as a flavouring agent TRS 901-JECFA 55/44
GHS notification summary	100% (89 / 89)

Physical description and handling notes

Colourless liquid, floral phenolic odour
Insoluble in water; soluble in oils
miscible (in ethanol)

Reported physical properties

沸点	107.00 to 108.00 °C. @ 8.00 mm Hg
沸点	107 °C (8 mm Hg)
密度	1.000-1.007
折射率	1.482-1.488

How this substance is indexed

CAS Registry Number	36438-54-7
PubChem CID	61954
分子式	C11H14O2
分子量	178.10 g/mol
IUPAC 名称	(2-methylphenyl) 2-methylpropanoate
InChIKey	FDJBDZVTTXWIQM-UHFFFAOYSA-N
UNII（FDA）	X2ORQ6I00S
ChEBI 编号	CHEBI:173828
FEMA 编号	3753
JECFA 编号	700

Documented uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index

Names this substance appears under

o-Tolyl isobutyrate; 2-Methylphenyl 2-methylpropanoate; 36438-54-7; (2-methylphenyl) 2-methylpropanoate; o-cresyl isobutyrate; Cresyl isobutyrate, o-; Tolyl 2-methylpropanoate, o-; Methylphenyl isobutyrate, o-; FEMA No. 3753; Propanoic acid, 2-methyl-, 2-methylphenyl ester; O-Methylphenyl isobutyrate; UNII-X2ORQ6I00S; X2ORQ6I00S; AI3-21544; DTXSID30189958; O-TOLYL ISOBUTYRATE [FHFI]

Computed molecular descriptors

分子量	178.23
XLogP3	2.7
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

o-Tolyl isobutyrate is identified by CAS 36438-54-7, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII X2ORQ6I00S; ChEBI 173828; InChIKey FDJBDZVTTXWIQM-UHFFFAOYSA-N. 沸点: 107.00 to 108.00 °C. @ 8.00 mm Hg; 沸点: 107 °C (8 mm Hg); 密度: 1.000-1.007.

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

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