Methyl phenylacetate

Description

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. Boiling Point: 215 °C; Boiling Point: 215.00 to 217.00 °C. @ 760.00 mm Hg; Density: 1.062 g/mL.

Identification

CAS Registry Number	101-41-7
PubChem CID	7559
Molecular formula	C9H10O2
Molecular weight	150.07 g/mol
IUPAC name	methyl 2-phenylacetate
InChIKey	CRZQGDNQQAALAY-UHFFFAOYSA-N
UNII (FDA)	D4PDC41X96
ChEBI ID	CHEBI:167404
FEMA number	2733
JECFA number	1008

Computed Descriptors

Molecular Weight	150.17
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	26.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	215 °C
Boiling Point	215.00 to 217.00 °C. @ 760.00 mm Hg
Density	1.062 g/mL
Density	1.061-1.067
Vapor Density	5.18 (Air = 1)
Vapor Pressure	0.16 [mmHg]
Vapor Pressure	0.13 mm Hg at 20 °C
LogP	log Kow = 1.82
LogP	1.83
Refractive Index	1.504-1.510

Physical description & 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

Regulatory Status

Regulatory & Food Contact	EU 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 summary	99.8% (1661 / 1664)

GHS Hazard Classification

GHS notification summary	99.8% (1661 / 1664)
Reported hazard statements	H227

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

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of Methyl phenylacetate?

CAS 101-41-7; molecular formula C9H10O2; molecular weight 150.07 g/mol.

What other names is Methyl phenylacetate known by?

METHYL PHENYLACETATE, 101-41-7, Methyl 2-phenylacetate, Benzeneacetic acid, methyl ester, Methyl benzeneacetate, Phenylacetic Acid Methyl Ester.

What is the regulatory status of Methyl phenylacetate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Methyl phenylacetate classified as hazardous?

99.8% of GHS notifications report no hazard classification (1661 of 1664).

What are the key physical properties of Methyl phenylacetate?

Boiling Point: 215 °C; Boiling Point: 215.00 to 217.00 °C. @ 760.00 mm Hg; Density: 1.062 g/mL; Density: 1.061-1.067.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.