苯乙酸乙酯（CAS 101-97-3）：分子式 C10H12O2、分子量 164.20。
| CAS号 | 101-97-3 |
|---|---|
| 分子式 | C10H12O2 |
| 分子量 | 164.20 |
| 熔点 | -29.4 °C |
| 沸点 | 228 °C |
| LogP | log Kow = 2.28 |
| 应用领域 | Uses: Used to make perfumes、[Merck Index] Used as a flavoring agent、[FDA] Used to flavor animal feeds、[ExPub: EFSA - FEEDAP]、Farming (Feed Additives) [Category: Industry]、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8420]、Perfumery、intermediate、especially for phenobarbital、herbicide.、Food additive permitted for direct addition to food for human consumption. Synthetic flavoring substance and adjuvant.、Ethyl phenylacetate is a less toxic、greener solvent. It is non-mutagenic and is a certified Kosher food additive. Ethyl phenylacetate is used in perfumery.、For more Uses (Complete) data for Ethyl phenylacetate (6 total)、please visit the HSDB record page.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Solvent、Tonic、Methods of Manufacturing: Prepd by heating benzyl cyanide with alcohol and、sulfuric acid、.、Synthesis: By heating at the boil phenylacetonitrile and sulfuric acid in alcohol solution、by esterification of the acid catalyzed by HCl or H2SO4.、Formulations、Preparations: Grade: Technical、FCC.、U.S. Production: Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Benzeneacetic acid、ethyl ester. National Production Volume: 35、273 lb、yr.、Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Benzeneacetic acid、ethyl ester:、Table: National Aggregate Production Volume (pounds) [Table#8419]、General Manufacturing Information: Benzeneacetic acid、ethyl ester: ACTIVE、Natural occurrence: Reported found in grapefruit juice、apple juice、figs、guava、pineapple、papaya、cognac、cider、grape wines and port wine. |
登记用途：Uses: Used to make perfumes、[Merck Index] Used as a flavoring agent、[FDA] Used to flavor animal feeds、[ExPub: EFSA - FEEDAP]、Farming (Feed Additives) [Category: Industry]、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8420]、Perfumery、intermediate、especially for phenobarbital、herbicide.、Food additive permitted for direct addition to food for human consumption. Synthetic flavoring substance and adjuvant.、Ethyl phenylacetate is a less toxic、greener solvent. It is non-mutagenic and is a certified Kosher food additive. Ethyl phenylacetate is used in perfumery.、For more Uses (Complete) data for Ethyl phenylacetate (6 total)、please visit the HSDB record page.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Solvent、Tonic、Methods of Manufacturing: Prepd by heating benzyl cyanide with alcohol and、sulfuric acid、.、Synthesis: By heating at the boil phenylacetonitrile and sulfuric acid in alcohol solution、by esterification of the acid catalyzed by HCl or H2SO4.、Formulations、Preparations: Grade: Technical、FCC.、U.S. Production: Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Benzeneacetic acid、ethyl ester. National Production Volume: 35、273 lb、yr.、Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Benzeneacetic acid、ethyl ester:、Table: National Aggregate Production Volume (pounds) [Table#8419]、General Manufacturing Information: Benzeneacetic acid、ethyl ester: ACTIVE、Natural occurrence: Reported found in grapefruit juice、apple juice、figs、guava、pineapple、papaya、cognac、cider、grape wines and port wine.。
苯乙酸乙酯 是一种化工化合物，登记 CAS 号为 101-97-3，分子式 C10H12O2（分子量 164.20）。
登记 CAS 号：101-97-3
其分子式 C10H12O2 由 10 个碳、12 个氢、2 个氧 组成。
别名/同义词：苯乙酸乙酯 · Ethyl phenylacetate
苯乙酸乙酯 的 CAS 登记号为 101-97-3。
分子式 C10H12O2，分子量 164.20。
别名/同义词：苯乙酸乙酯、Ethyl phenylacetate。
登记用途：Uses: Used to make perfumes、[Merck Index] Used as a flavoring agent、[FDA] Used to flavor animal feeds、[ExPub: EFSA - FEEDAP]、Farming (Feed Additives) [Category: Industry]、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8420]、Perfumery、intermediate、especially for phenobarbital、herbicide.、Food additive permitted for direct addition to food for human consumption. Synthetic flavoring substance and adjuvant.、Ethyl phenylacetate is a less toxic、greener solvent. It is non-mutagenic and is a certified Kosher food additive. Ethyl phenylacetate is used in perfumery.、For more Uses (Complete) data for Ethyl phenylacetate (6 total)、please visit the HSDB record page.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Solvent、Tonic、Methods of Manufacturing: Prepd by heating benzyl cyanide with alcohol and、sulfuric acid、.、Synthesis: By heating at the boil phenylacetonitrile and sulfuric acid in alcohol solution、by esterification of the acid catalyzed by HCl or H2SO4.、Formulations、Preparations: Grade: Technical、FCC.、U.S. Production: Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Benzeneacetic acid、ethyl ester. National Production Volume: 35、273 lb、yr.、Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Benzeneacetic acid、ethyl ester:、Table: National Aggregate Production Volume (pounds) [Table#8419]、General Manufacturing Information: Benzeneacetic acid、ethyl ester: ACTIVE、Natural occurrence: Reported found in grapefruit juice、apple juice、figs、guava、pineapple、papaya、cognac、cider、grape wines and port wine.。
苯乙酸乙酯（CAS 101-97-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 101-97-3 |
|---|---|
| PubChem CID | 7590 |
| Molecular formula | C10H12O2 |
| Molecular weight | 164.08 g/mol |
| IUPAC name | ethyl 2-phenylacetate |
| InChIKey | DULCUDSUACXJJC-UHFFFAOYSA-N |
| UNII (FDA) | V6CNZ04D8O |
| ChEBI ID | CHEBI:180411 |
| FEMA number | 2452 |
| JECFA number | 1009 |
| Molecular Weight | 164.20 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 164.083729621 |
| Monoisotopic Mass | 164.083729621 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 228 °C |
|---|---|
| Boiling Point | 227.00 to 229.00 °C. @ 760.00 mm Hg |
| Melting Point | -29.4 °C |
| Flash Point | 210 °F (99 °F) |
| Solubility | In water, 1,478 mg/L at 25 °C |
| Density | 1.0333 g/cu cm at 20 °C |
| Density | 1.027-1.032 |
| Vapor Density | 5.67 (Air = 1) |
| Vapor Pressure | 0.06 [mmHg] |
| LogP | log Kow = 2.28 |
ETHYL PHENYLACETATE; 101-97-3; ethyl 2-phenylacetate; Benzeneacetic acid, ethyl ester; Ethyl phenacetate; Ethyl 2-phenylethanoate; Ethyl benzeneacetate; Ethyl phenylethanoate; Phenylacetic acid, ethyl ester; Ethyl alpha-toluate; Acetic acid, phenyl-, ethyl ester; FEMA No. 2452; alpha-Toluic acid, ethyl ester; NSC 406259; DTXSID6044353; V6CNZ04D8O
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Fruit, Honey, Rose No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 99.8% (1778 / 1782) |
| GHS notification summary | 99.8% (1778 / 1782) |
|---|
This chemical does not meet GHS hazard criteria for 99.8% (1778 of 1782) of all reports.
Reported as not meeting GHS hazard criteria by 1778 of 1782 companies (only 0.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Ethyl phenylacetate is identified by CAS 101-97-3, molecular formula C10H12O2 and molecular weight 164.08 g/mol. UNII V6CNZ04D8O; ChEBI 180411; InChIKey DULCUDSUACXJJC-UHFFFAOYSA-N. Boiling Point: 228 °C; Boiling Point: 227.00 to 229.00 °C. @ 760.00 mm Hg; Melting Point: -29.4 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Ethyl phenylacetate