苯乙酸乙酯

Description

Ethyl phenylacetate is identified by CAS 101-97-3, molecular formula C10H12O2 and molecular weight 164.08 g/mol. UNII V6CNZ04D8O; ChEBI 180411; InChIKey DULCUDSUACXJJC-UHFFFAOYSA-N. Boiling Point: 228 °C; Boiling Point: 227.00 to 229.00 °C. @ 760.00 mm Hg; Melting Point: -29.4 °C.

Identification

CAS Registry Number	101-97-3
PubChem CID	7590
Molecular formula	C10H12O2
Molecular weight	164.08 g/mol
IUPAC name	ethyl 2-phenylacetate
InChIKey	DULCUDSUACXJJC-UHFFFAOYSA-N
UNII (FDA)	V6CNZ04D8O
ChEBI ID	CHEBI:180411
FEMA number	2452
JECFA number	1009

Computed Descriptors

Molecular Weight	164.20
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	26.3
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	228 °C
Boiling Point	227.00 to 229.00 °C. @ 760.00 mm Hg
Melting Point	-29.4 °C
Flash Point	210 °F (99 °F)
Solubility	In water, 1,478 mg/L at 25 °C
Density	1.0333 g/cu cm at 20 °C
Density	1.027-1.032
Vapor Density	5.67 (Air = 1)
Vapor Pressure	0.06 [mmHg]
LogP	log Kow = 2.28

Physical description & handling notes

• Liquid with a pleasant odor; [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS]
• Liquid
• Colourless or nearly colourless liquid; pleasant sweet odour suggestive of honey
• Colorless liquid
• Sweet, honey odor
• Pleasant odor

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Fruit, Honey, Rose No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	99.8% (1778 / 1782)

GHS Hazard Classification

GHS notification summary	99.8% (1778 / 1782)

Documented Uses

• Used to make perfumes; [Merck Index] Used as a flavoring agent; [FDA] Used to flavor animal feeds; [ExPub: EFSA - FEEDAP]
• Farming (Feed Additives) [Category: Industry]
• Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8420]
• Perfumery; flavors; intermediate, especially for phenobarbital; herbicide.
• Food additive permitted for direct addition to food for human consumption. Synthetic flavoring substance and adjuvant.
• Ethyl phenylacetate is a less toxic, greener solvent. It is non-mutagenic and is a certified Kosher food additive. Ethyl phenylacetate is used in perfumery.

Synonyms

ETHYL PHENYLACETATE; 101-97-3; ethyl 2-phenylacetate; Benzeneacetic acid, ethyl ester; Ethyl phenacetate; Ethyl 2-phenylethanoate; Ethyl benzeneacetate; Ethyl phenylethanoate; Phenylacetic acid, ethyl ester; Ethyl alpha-toluate; Acetic acid, phenyl-, ethyl ester; FEMA No. 2452; alpha-Toluic acid, ethyl ester; NSC 406259; DTXSID6044353; V6CNZ04D8O

Frequently Asked Questions

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

CAS 101-97-3; molecular formula C10H12O2; molecular weight 164.08 g/mol.

What other names is Ethyl phenylacetate known by?

ETHYL PHENYLACETATE, 101-97-3, ethyl 2-phenylacetate, Benzeneacetic acid, ethyl ester, Ethyl phenacetate, Ethyl 2-phenylethanoate.

What is the regulatory status of Ethyl phenylacetate?

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

Is Ethyl phenylacetate classified as hazardous?

99.8% of GHS notifications report no hazard classification (1778 of 1782).

What are the key physical properties of Ethyl phenylacetate?

Boiling Point: 228 °C; Boiling Point: 227.00 to 229.00 °C. @ 760.00 mm Hg; Melting Point: -29.4 °C; Flash Point: 210 °F (99 °F).

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.