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Methyl phenylacetate

CAS 101-41-7C9H10O2MW 150.07 g/mol

Methyl phenylacetate (CAS 101-41-7) — formula C9H10O2, molecular weight 150.07 g/mol.

Specifications

CAS Number101-41-7
Molecular FormulaC9H10O2
Molecular Weight150.07 g/mol
Boiling Point215 °C
LogPlog Kow = 1.82

Purchase Profile

What this product is

Methyl phenylacetate is a chemical compound with CAS registry number 101-41-7 and molecular formula C9H10O2 (molecular weight 150.07 g/mol).

Identification

CAS number: 101-41-7

Its molecular formula C9H10O2 comprises 9 C, 10 H, 2 O atoms.

Also known as: Methyl phenylacetate · METHYL PHENYL ACETATE

Frequently Asked Questions

What is the CAS number of Methyl phenylacetate?

The CAS registry number of Methyl phenylacetate is 101-41-7.

What is the molecular formula and molecular weight of Methyl phenylacetate?

Molecular formula C9H10O2, molecular weight 150.07 g/mol.

What other names is Methyl phenylacetate known by?

It is also registered under: Methyl phenylacetate, METHYL PHENYL ACETATE.

PubChem Public Data

Public-database records for Methyl phenylacetate (CAS 101-41-7), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary99.8% (1661 / 1664)
Reported hazard statementsH227

This chemical does not meet GHS hazard criteria for 99.8% (1661 of 1664) of all reports.

Reported as not meeting GHS hazard criteria by 1661 of 1664 companies (only 0.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Honey, Jasmine
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary99.8% (1661 / 1664)

Physical description and handling notes

  • Liquid; [Merck Index] Colorless liquid; [Alfa Aesar MSDS]
  • Colourless to nearly colourless liquid; intense odour suggestive of honey and jasmine
  • Colorless liquid
  • Honey, jasmine odor
  • Honey, Jasmine
  • Taste threshold: Taste characteristics at 30 ppm: Floral, honey, spice, waxy and sweet

Reported physical properties

沸点215 °C
沸点215.00 to 217.00 °C. @ 760.00 mm Hg
密度1.062 g/mL
密度1.061-1.067
Vapor 密度5.18 (Air = 1)
蒸气压0.16 [mmHg]
蒸气压0.13 mm Hg at 20 °C
LogPlog Kow = 1.82
LogP1.83
折射率1.504-1.510

How this substance is indexed

CAS Registry Number101-41-7
PubChem CID7559
分子式C9H10O2
分子量150.07 g/mol
IUPAC 名称methyl 2-phenylacetate
InChIKeyCRZQGDNQQAALAY-UHFFFAOYSA-N
UNII（FDA）D4PDC41X96
ChEBI 编号CHEBI:167404
FEMA 编号2733
JECFA 编号1008

Documented uses

  • Used to make perfumes; [Merck Index] Used as a flavoring agent; [FDA] Used to flavor animal feeds; [ExPub: EFSA - FEEDAP] Used to formulate industrial and consumer washing-cleaning products and polishes-waxes and consumer air care products, biocidal products, cosmetics, and personal care products; [ExPub: ECHA REACH Registrations]
  • Farming (Feed Additives) [Category: Industry]
  • Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8422]
  • Perfumery, flavors for tobacco, flavoring.
  • Methyl phenylacetate is the starting material in manufacture of synthetic perfumes.
  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Names this substance appears under

METHYL PHENYLACETATE; 101-41-7; Methyl 2-phenylacetate; Benzeneacetic acid, methyl ester; Methyl benzeneacetate; Phenylacetic Acid Methyl Ester; Methyl alpha-toluate; Methyl phenylethanoate; Methyl benzeneethanoate; Phenylacetic acid, methyl ester; Acetic acid, phenyl-, methyl ester; FEMA No. 2733; DTXSID1044352; NSC 401667; D4PDC41X96; NSC-9405

Computed molecular descriptors

分子量150.17
XLogP31.8
氢键供体数0
氢键受体数2
可旋转键数3
精确质量150.068079557
单同位素质量150.068079557
拓扑极性表面积26.3
重原子数11
形式电荷0

Database abstract

Methyl phenylacetate is identified by CAS 101-41-7, molecular formula C9H10O2 and molecular weight 150.07 g/mol. UNII D4PDC41X96; ChEBI 167404; InChIKey CRZQGDNQQAALAY-UHFFFAOYSA-N. 沸点: 215 °C; 沸点: 215.00 to 217.00 °C. @ 760.00 mm Hg; 密度: 1.062 g/mL.

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

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