Phenethyl 2-methylbutyrate

Name: Phenethyl 2-methylbutyrate
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160595
Availability: InStock

CAS 24817-51-4C13H18O2MW 206.13 g/mol

Phenethyl 2-methylbutyrate (CAS 24817-51-4) — formula C13H18O2, molecular weight 206.13 g/mol.

Specifications

CAS Number24817-51-4

Molecular FormulaC13H18O2

Molecular Weight206.13 g/mol

Boiling Point136.00 °C. @ 30.00 mm Hg

LogP3.5

Purchase Profile

What this product is

Phenethyl 2-methylbutyrate is a chemical compound with CAS registry number 24817-51-4 and molecular formula C13H18O2 (molecular weight 206.13 g/mol).

Identification

CAS number: 24817-51-4

Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms.

Also known as: Phenethyl 2-methylbutyrate · 2-phenylethyl 2-methylbutyrate

Frequently Asked Questions

What is the CAS number of Phenethyl 2-methylbutyrate?

The CAS registry number of Phenethyl 2-methylbutyrate is 24817-51-4.

What is the molecular formula and molecular weight of Phenethyl 2-methylbutyrate?

Molecular formula C13H18O2, molecular weight 206.13 g/mol.

What other names is Phenethyl 2-methylbutyrate known by?

It is also registered under: Phenethyl 2-methylbutyrate, 2-phenylethyl 2-methylbutyrate.

PubChem Public Data

Public-database records for Phenethyl 2-methylbutyrate (CAS 24817-51-4), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	100% (262 / 262)

This chemical does not meet GHS hazard criteria for 100% (262 of 262) of all reports.

Reported as not meeting GHS hazard criteria by 262 of 262 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% (262 / 262)

Physical description and handling notes

Colourless liquid; sweet floral fruity odour with a warm, oily-herbaceous undertone
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)

Reported physical properties

沸点	136.00 °C. @ 30.00 mm Hg
沸点	230 °C
密度	0.974-0.980
折射率	1.481-1.489

How this substance is indexed

CAS Registry Number	24817-51-4
PubChem CID	520148
分子式	C13H18O2
分子量	206.13 g/mol
IUPAC 名称	2-phenylethyl 2-methylbutanoate
InChIKey	KVKKTLBBYFABAZ-UHFFFAOYSA-N
UNII（FDA）	4D2I5SJ45Q
FEMA 编号	3632
JECFA 编号	993

Documented uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Butanoic acid, 2-methyl-, 2-phenylethyl ester: ACTIVE

Names this substance appears under

24817-51-4; Phenethyl 2-methylbutyrate; 2-Phenylethyl 2-methylbutanoate; Butanoic acid, 2-methyl-, 2-phenylethyl ester; Phenylethyl 2-methylbutyrate; Butyric acid, 2-methyl-, phenethyl ester; FEMA No. 3632; DTXSID2047567; 4D2I5SJ45Q; DTXCID0027567; RefChem:860578; 246-476-5; phenethyl 2-methylbutanoate; 2-Phenylethyl 2-methylbutyrate; Phenylethyl 2-methylbutanoate; Benzylcarbinyl 2-methylbutyrate

Computed molecular descriptors

分子量	206.28
XLogP3	3.5
氢键供体数	0
氢键受体数	2
可旋转键数	6
精确质量	206.130679813
单同位素质量	206.130679813
拓扑极性表面积	26.3
重原子数	15
形式电荷	0

Database abstract

Phenethyl 2-methylbutyrate is identified by CAS 24817-51-4, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII 4D2I5SJ45Q; InChIKey KVKKTLBBYFABAZ-UHFFFAOYSA-N. 沸点: 136.00 °C. @ 30.00 mm Hg; 沸点: 230 °C; 密度: 0.974-0.980.

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

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