苯乙酸苯乙酯

Description

phenethyl phenylacetate is identified by CAS 102-20-5, molecular formula C16H16O2 and molecular weight 240.12 g/mol. UNII 5J5OJ7GH15; ChEBI 173735; InChIKey ZOZIRNMDEZKZHM-UHFFFAOYSA-N. Boiling Point: 324.00 to 325.00 °C. @ 760.00 mm Hg; Boiling Point: 325 °C; Melting Point: 28 °C.

Identification

CAS Registry Number	102-20-5
PubChem CID	7601
Molecular formula	C16H16O2
Molecular weight	240.12 g/mol
IUPAC name	2-phenylethyl 2-phenylacetate
InChIKey	ZOZIRNMDEZKZHM-UHFFFAOYSA-N
UNII (FDA)	5J5OJ7GH15
ChEBI ID	CHEBI:173735
FEMA number	2866
JECFA number	999

Computed Descriptors

Molecular Weight	240.30
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	240.115029749
Monoisotopic Mass	240.115029749
Topological Polar Surface Area	26.3
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

Boiling Point	324.00 to 325.00 °C. @ 760.00 mm Hg
Boiling Point	325 °C
Melting Point	28 °C
Density	1.079-1.082
Refractive Index	1.545-1.551

Physical description & handling notes

• Liquid
• Solid
• Colourless to slighty yellow liquid or crystalline mass; rose-hyacinth type odour
• Insoluble in water; soluble in oils
• 1 mL in 4 mL 90% ethanol (in ethanol)

Regulatory Status

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	1.1% (21 / 1880)

GHS Hazard Classification

GHS notification summary	1.1% (21 / 1880)
Reported hazard statements	H411 (96.8%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 17 consumer products that contain Phenethyl Phenylacetate in the following categories is provided:
• All Other Chemical Product and Preparation Manufacturing
• Benzeneacetic acid, 2-phenylethyl ester: ACTIVE

Synonyms

Phenethyl phenylacetate; 2-Phenylethyl phenylacetate; Benzeneacetic acid, 2-phenylethyl ester; 2-phenylethyl 2-phenylacetate; Phenylethyl phenylacetate; Phenylacetic acid, phenethyl ester; ACETIC ACID, PHENYL-, PHENETHYL ESTER; Benzylcarbinyl alpha-toluate; Phenethyl alpha-toluate; Benzylcarbinyl phenylacetate; 2-Phenylethyl alpha-toluate; 2-Phenylethyl benzeneacetate; FEMA No. 2866; NSC 6676; AI3-20106; .beta.-Phenylethyl phenylacetate

Frequently Asked Questions

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

CAS 102-20-5; molecular formula C16H16O2; molecular weight 240.12 g/mol.

What other names is phenethyl phenylacetate known by?

Phenethyl phenylacetate, 2-Phenylethyl phenylacetate, Benzeneacetic acid, 2-phenylethyl ester, 2-phenylethyl 2-phenylacetate, Phenylethyl phenylacetate, Phenylacetic acid, phenethyl ester.

What is the regulatory status of phenethyl phenylacetate?

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

Is phenethyl phenylacetate classified as hazardous?

1.1% of GHS notifications report no hazard classification (21 of 1880).

What are the key physical properties of phenethyl phenylacetate?

Boiling Point: 324.00 to 325.00 °C. @ 760.00 mm Hg; Boiling Point: 325 °C; Melting Point: 28 °C; Density: 1.079-1.082.

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.