2,3-环氧-3-苯基丙酸乙酯

Description

Ethyl 3-phenylglycidate is identified by CAS 121-39-1, molecular formula C11H12O3 and molecular weight 192.08 g/mol. UNII 2VVS520ZWM; ChEBI 173922; InChIKey GOMAKLPNAAZVCJ-UHFFFAOYSA-N. Boiling Point: 509 to 518 °F at 760 mmHg (NTP, 1992); Boiling Point: 96 °C (0.5 mm Hg); Flash Point: 100 °C.

Identification

CAS Registry Number	121-39-1
PubChem CID	8469
Molecular formula	C11H12O3
Molecular weight	192.08 g/mol
IUPAC name	ethyl 3-phenyloxirane-2-carboxylate
InChIKey	GOMAKLPNAAZVCJ-UHFFFAOYSA-N
UNII (FDA)	2VVS520ZWM
ChEBI ID	CHEBI:173922
FEMA number	2454
JECFA number	1576

Computed Descriptors

Molecular Weight	192.21
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	192.078644241
Monoisotopic Mass	192.078644241
Topological Polar Surface Area	38.8
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	509 to 518 °F at 760 mmHg (NTP, 1992)
Boiling Point	96 °C (0.5 mm Hg)
Flash Point	100 °C
Density	1.120-1.128 @ 25/25 °C
Density	1.120-1.125
Refractive Index	1.516-1.521

Physical description & handling notes

• Ethyl-3-phenylglycidate appears as clear pale yellow or yellow liquid. (NTP, 1992)
• Colorless to pale yellow liquid with a strong fruity odor like strawberries; [HSDB]
• Clear, Colourless to pale yellow liquid; Strong fruity aroma suggestive of strawberry
• COLORLESS TO PALE-YELLOW LIQUID
• STRONG FRUITY ODOR SUGGESTIVE OF STRAWBERRY
• SWEET TASTE CORRESPONDING TO FRUITY ODOR

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H317 (99.6%)

Documented Uses

• Used as a flavor ingredient and a fragrance in soaps, detergents, creams, lotions, and perfumes; [HSDB]
• AS FRAGRANCE IN SOAPS, DETERGENTS, CREAMS, LOTIONS, PERFUME
• IN BERRY & CHERRY FOOD FLAVORINGS
• FLAVORING AGENT IN GELATINS, PUDDINGS & BAKED GOODS
• FLAVORING AGENT IN CANDY, ICE CREAM & BEVERAGES
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Synonyms

Ethyl 3-phenylglycidate; 121-39-1; Ethyl 3-phenyloxirane-2-carboxylate; Ethyl phenylglycidate; ETHYL 2,3-EPOXY-3-PHENYLPROPIONATE; Oxiranecarboxylic acid, 3-phenyl-, ethyl ester; Glycidic acid, 3-phenyl-, ethyl ester; FEMA No. 2454; DTXSID8025886; 3-Phenylglycidic acid, ethyl ester; Ethyl 3-phenyl-2,3-epoxypropionate; Ethyl alpha,beta-epoxyhydrocinnamate; 2VVS520ZWM; Ethyl alpha,beta-epoxy-alpha-phenylpropionate; NSC-8899; DTXCID905886

Frequently Asked Questions

What are the CAS number and molecular formula of Ethyl 3-phenylglycidate?

CAS 121-39-1; molecular formula C11H12O3; molecular weight 192.08 g/mol.

What other names is Ethyl 3-phenylglycidate known by?

Ethyl 3-phenylglycidate, 121-39-1, Ethyl 3-phenyloxirane-2-carboxylate, Ethyl phenylglycidate, ETHYL 2,3-EPOXY-3-PHENYLPROPIONATE, Oxiranecarboxylic acid, 3-phenyl-, ethyl ester.

What is the regulatory status of Ethyl 3-phenylglycidate?

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

Is Ethyl 3-phenylglycidate classified as hazardous?

Hazard statements reported: H317.

What are the key physical properties of Ethyl 3-phenylglycidate?

Boiling Point: 509 to 518 °F at 760 mmHg (NTP, 1992); Boiling Point: 96 °C (0.5 mm Hg); Flash Point: 100 °C; Density: 1.120-1.128 @ 25/25 °C.

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.