Ethyl 2,3-epoxy-3-phenylpropionate (CAS 121-39-1) — formula C11H12O3, molecular weight 192.21; category organic chemicals.
| CAS Number | 121-39-1 |
|---|---|
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.21 |
| Boiling Point | 509 to 518 °F at 760 mmHg (NTP, 1992) |
| LogP | 1.7 |
| Applications | 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, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 3 consumer products that contain Ethyl 3-Phenylglycidate in the following categories is provided:, • Personal Care, Methods of Manufacturing: BY THE REACTION OF BENZALDEHYDE AND THE ETHYL ESTER OF MONOCHLORACETIC ACID IN THE PRESENCE OF AN ALKALINE CONDENSING AGENT: BEDOUKIAN PZ, PERFUMERY AND FLAVORING SYNTHETICS 2ND EDITION, 297 (1967), ELSEVIER PUBLISHING COMPANY, NEW YORK., REACTION OF BENZALDEHYDE WITH ETHYL MONOCHLORACETATE IN PRESENCE OF AN ALKALINE CONDENSING AGENT, REACTION OF THE SILVER SALT OF PHENYL GLYCIDIC ACID WITH ETHYL IODIDE, U.S. Production: (1979) PROBABLY GREATER THAN 4.54X10+5 GRAMS, (1981) PROBABLY GREATER THAN 4.54X10+5 GRAMS, U.S. Imports: (1980) 6.01X10+5 GRAMS (PRINCPL CUSTMS DISTS), (1981) 1.82X10+3 GRAMS (PRINCPL CUSTMS DISTS), U.S. Exports: (1979) No Data, (1981) No Data, General Manufacturing Information: 2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester: ACTIVE, ASSAY: 99% MIN (98%)., CONCENTRATION IN FINAL PRODUCT (%): SOAP: USUAL 0.01, MAXIMUM 0.1, DETERGENT: USUAL 0.001, MAXIMUM 0.01, LOTIONS: USUAL 0.01, MAXIMUM 0.05, PERFUME: USUAL 0.15, MAXIMUM 0.4., REPORTED USES: NON-ALCOHOLIC BEVERAGES 4.6 PPM, ICE CREAMS, ICES, ETC 12 PPM, CANDY 18 PPM, BAKED GOODS 20 PPM, GELATINS AND PUDDINGS 10-70 PPM., THE COUNCIL OF EUROPE (1970) INCLUDED ETHYL PHENYLGLYCIDATE IN ITS LIST OF TEMPORARILY ADMISSIBLE ARTIFICIAL FLAVORING SUBSTANCES., FEMA 2454 |
| Category | Organic Chemicals |
Documented applications: 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, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 3 consumer products that contain Ethyl 3-Phenylglycidate in the following categories is provided:, • Personal Care, Methods of Manufacturing: BY THE REACTION OF BENZALDEHYDE AND THE ETHYL ESTER OF MONOCHLORACETIC ACID IN THE PRESENCE OF AN ALKALINE CONDENSING AGENT: BEDOUKIAN PZ, PERFUMERY AND FLAVORING SYNTHETICS 2ND EDITION, 297 (1967), ELSEVIER PUBLISHING COMPANY, NEW YORK., REACTION OF BENZALDEHYDE WITH ETHYL MONOCHLORACETATE IN PRESENCE OF AN ALKALINE CONDENSING AGENT, REACTION OF THE SILVER SALT OF PHENYL GLYCIDIC ACID WITH ETHYL IODIDE, U.S. Production: (1979) PROBABLY GREATER THAN 4.54X10+5 GRAMS, (1981) PROBABLY GREATER THAN 4.54X10+5 GRAMS, U.S. Imports: (1980) 6.01X10+5 GRAMS (PRINCPL CUSTMS DISTS), (1981) 1.82X10+3 GRAMS (PRINCPL CUSTMS DISTS), U.S. Exports: (1979) No Data, (1981) No Data, General Manufacturing Information: 2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester: ACTIVE, ASSAY: 99% MIN (98%)., CONCENTRATION IN FINAL PRODUCT (%): SOAP: USUAL 0.01, MAXIMUM 0.1, DETERGENT: USUAL 0.001, MAXIMUM 0.01, LOTIONS: USUAL 0.01, MAXIMUM 0.05, PERFUME: USUAL 0.15, MAXIMUM 0.4., REPORTED USES: NON-ALCOHOLIC BEVERAGES 4.6 PPM, ICE CREAMS, ICES, ETC 12 PPM, CANDY 18 PPM, BAKED GOODS 20 PPM, GELATINS AND PUDDINGS 10-70 PPM., THE COUNCIL OF EUROPE (1970) INCLUDED ETHYL PHENYLGLYCIDATE IN ITS LIST OF TEMPORARILY ADMISSIBLE ARTIFICIAL FLAVORING SUBSTANCES., FEMA 2454.
Ethyl 2,3-epoxy-3-phenylpropionate is a carbon-based organic compound with CAS registry number 121-39-1 and molecular formula C11H12O3 (molecular weight 192.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 121-39-1
Its molecular formula C11H12O3 comprises 11 C, 12 H, 3 O atoms.
Also known as: Ethyl 2,3-epoxy-3-phenylpropionate · 3-苯基环氧乙烷甲酸乙酯 · Ethyl 3-phenylglycidate
Category: organic chemicals
The CAS registry number of Ethyl 2,3-epoxy-3-phenylpropionate is 121-39-1.
Molecular formula C11H12O3, molecular weight 192.21.
It is also registered under: Ethyl 2,3-epoxy-3-phenylpropionate, 3-苯基环氧乙烷甲酸乙酯, Ethyl 3-phenylglycidate.
Recorded applications: 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, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 3 consumer products that contain Ethyl 3-Phenylglycidate in the following categories is provided:, • Personal Care, Methods of Manufacturing: BY THE REACTION OF BENZALDEHYDE AND THE ETHYL ESTER OF MONOCHLORACETIC ACID IN THE PRESENCE OF AN ALKALINE CONDENSING AGENT: BEDOUKIAN PZ, PERFUMERY AND FLAVORING SYNTHETICS 2ND EDITION, 297 (1967), ELSEVIER PUBLISHING COMPANY, NEW YORK., REACTION OF BENZALDEHYDE WITH ETHYL MONOCHLORACETATE IN PRESENCE OF AN ALKALINE CONDENSING AGENT, REACTION OF THE SILVER SALT OF PHENYL GLYCIDIC ACID WITH ETHYL IODIDE, U.S. Production: (1979) PROBABLY GREATER THAN 4.54X10+5 GRAMS, (1981) PROBABLY GREATER THAN 4.54X10+5 GRAMS, U.S. Imports: (1980) 6.01X10+5 GRAMS (PRINCPL CUSTMS DISTS), (1981) 1.82X10+3 GRAMS (PRINCPL CUSTMS DISTS), U.S. Exports: (1979) No Data, (1981) No Data, General Manufacturing Information: 2-Oxiranecarboxylic acid, 3-phenyl-, ethyl ester: ACTIVE, ASSAY: 99% MIN (98%)., CONCENTRATION IN FINAL PRODUCT (%): SOAP: USUAL 0.01, MAXIMUM 0.1, DETERGENT: USUAL 0.001, MAXIMUM 0.01, LOTIONS: USUAL 0.01, MAXIMUM 0.05, PERFUME: USUAL 0.15, MAXIMUM 0.4., REPORTED USES: NON-ALCOHOLIC BEVERAGES 4.6 PPM, ICE CREAMS, ICES, ETC 12 PPM, CANDY 18 PPM, BAKED GOODS 20 PPM, GELATINS AND PUDDINGS 10-70 PPM., THE COUNCIL OF EUROPE (1970) INCLUDED ETHYL PHENYLGLYCIDATE IN ITS LIST OF TEMPORARILY ADMISSIBLE ARTIFICIAL FLAVORING SUBSTANCES., FEMA 2454.
Category: Organic Chemicals.
Independent reference data for Ethyl 2,3-epoxy-3-phenylpropionate (CAS 121-39-1), compiled from public chemistry databases.
| 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 |
| 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 |
| 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 |
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
| 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 |
|---|
| Reported hazard statements | H317 (99.6%) |
|---|
H317 (99.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-苯基环氧乙烷甲酸乙酯