Ethyl 3-phenylglycidate (CAS 121-39-1) — formula C11H12O3, molecular weight 192.08 g/mol.
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 3-phenylglycidate is a chemical compound with CAS registry number 121-39-1 and molecular formula C11H12O3 (molecular weight 192.08 g/mol).
CAS number: 121-39-1
Its molecular formula C11H12O3 comprises 11 C, 12 H, 3 O atoms.
Also known as: Ethyl 3-phenylglycidate · Ethyl 2,3-epoxy-3-phenylpropionate
The CAS registry number of Ethyl 3-phenylglycidate is 121-39-1.
Molecular formula C11H12O3, molecular weight 192.08 g/mol.
It is also registered under: Ethyl 3-phenylglycidate, Ethyl 2,3-epoxy-3-phenylpropionate.
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.
Public-database records for Ethyl 3-phenylglycidate (CAS 121-39-1), reproduced here for independent cross-checking.
| Reported hazard statements | H317 (99.6%) |
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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)
| 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 |
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| 沸点 | 509 to 518 °F at 760 mmHg (NTP, 1992) |
|---|---|
| 沸点 | 96 °C (0.5 mm Hg) |
| 闪点 | 100 °C |
| 密度 | 1.120-1.128 @ 25/25 °C |
| 密度 | 1.120-1.125 |
| 折射率 | 1.516-1.521 |
| CAS Registry Number | 121-39-1 |
|---|---|
| PubChem CID | 8469 |
| 分子式 | C11H12O3 |
| 分子量 | 192.08 g/mol |
| IUPAC 名称 | ethyl 3-phenyloxirane-2-carboxylate |
| InChIKey | GOMAKLPNAAZVCJ-UHFFFAOYSA-N |
| UNII（FDA） | 2VVS520ZWM |
| ChEBI 编号 | CHEBI:173922 |
| FEMA 编号 | 2454 |
| JECFA 编号 | 1576 |
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
| 分子量 | 192.21 |
|---|---|
| XLogP3 | 1.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 4 |
| 精确质量 | 192.078644241 |
| 单同位素质量 | 192.078644241 |
| 拓扑极性表面积 | 38.8 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
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. 沸点: 509 to 518 °F at 760 mmHg (NTP, 1992); 沸点: 96 °C (0.5 mm Hg); 闪点: 100 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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