Ethyl 3-phenylglycidate（CAS 121-39-1）：分子式 C11H12O3、分子量 192.08 g/mol。
| CAS号 | 121-39-1 |
|---|---|
| 分子式 | C11H12O3 |
| 分子量 | 192.08 g/mol |
| 沸点 | 509 to 518 °F at 760 mmHg (NTP, 1992) |
| LogP | 1.7 |
| 应用领域 | 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 |
登记用途：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 是一种化工化合物，登记 CAS 号为 121-39-1，分子式 C11H12O3（分子量 192.08 g/mol）。
登记 CAS 号：121-39-1
其分子式 C11H12O3 由 11 个碳、12 个氢、3 个氧 组成。
别名/同义词：Ethyl 3-phenylglycidate · Ethyl 2,3-epoxy-3-phenylpropionate
Ethyl 3-phenylglycidate 的 CAS 登记号为 121-39-1。
分子式 C11H12O3，分子量 192.08 g/mol。
别名/同义词：Ethyl 3-phenylglycidate、Ethyl 2,3-epoxy-3-phenylpropionate。
登记用途：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（CAS 121-39-1）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Ethyl 3-phenylglycidate