Methyl phenylacetate（CAS 101-41-7）：分子式 C9H10O2、分子量 150.07 g/mol。
| CAS号 | 101-41-7 |
|---|---|
| 分子式 | C9H10O2 |
| 分子量 | 150.07 g/mol |
| 沸点 | 215 °C |
| LogP | log Kow = 1.82 |
| 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] Used to formulate industrial and consumer washing-cleaning products and polishes-waxes and consumer air care products、biocidal products、cosmetics、and personal care products、[ExPub: ECHA REACH Registrations]、Farming (Feed Additives) [Category: Industry]、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8422]、Perfumery、flavors for tobacco、flavoring.、Methyl phenylacetate is the starting material in manufacture of synthetic perfumes.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 1 consumer products that contain Methyl phenylacetate in the following categories is provided:、• Personal Care、Methods of Manufacturing: Synthesis: By methanolic esterification of the corresponding acid or nitrile、by reacting HCl over a solution of benzyl nitrile in methanol.、Formulations、Preparations: Grade: Technical、FCC.、General Manufacturing Information: Benzeneacetic acid、methyl ester: ACTIVE、Natural occurrence: reported found in cocoa、coffee、strawberry、pineapple、pepper、hop oil、cognac、peanut、honey、starfruit、Bourbon vanilla、mountain papaya、roasted chicory root and roobis tea.、Methyl phenylacetate is found in cocoa and cocoa products. Methyl phenylacetate is a flavoring ingredient. Odoriferous constituent of many plants. Methyl phenylacetate is present in cocoa、coffee and strawberry. |
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] Used to formulate industrial and consumer washing-cleaning products and polishes-waxes and consumer air care products、biocidal products、cosmetics、and personal care products、[ExPub: ECHA REACH Registrations]、Farming (Feed Additives) [Category: Industry]、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8422]、Perfumery、flavors for tobacco、flavoring.、Methyl phenylacetate is the starting material in manufacture of synthetic perfumes.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 1 consumer products that contain Methyl phenylacetate in the following categories is provided:、• Personal Care、Methods of Manufacturing: Synthesis: By methanolic esterification of the corresponding acid or nitrile、by reacting HCl over a solution of benzyl nitrile in methanol.、Formulations、Preparations: Grade: Technical、FCC.、General Manufacturing Information: Benzeneacetic acid、methyl ester: ACTIVE、Natural occurrence: reported found in cocoa、coffee、strawberry、pineapple、pepper、hop oil、cognac、peanut、honey、starfruit、Bourbon vanilla、mountain papaya、roasted chicory root and roobis tea.、Methyl phenylacetate is found in cocoa and cocoa products. Methyl phenylacetate is a flavoring ingredient. Odoriferous constituent of many plants. Methyl phenylacetate is present in cocoa、coffee and strawberry.。
Methyl phenylacetate 是一种化工化合物，登记 CAS 号为 101-41-7，分子式 C9H10O2（分子量 150.07 g/mol）。
登记 CAS 号：101-41-7
其分子式 C9H10O2 由 9 个碳、10 个氢、2 个氧 组成。
别名/同义词：Methyl phenylacetate · METHYL PHENYL ACETATE
Methyl phenylacetate 的 CAS 登记号为 101-41-7。
分子式 C9H10O2，分子量 150.07 g/mol。
别名/同义词：Methyl phenylacetate、METHYL PHENYL ACETATE。
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] Used to formulate industrial and consumer washing-cleaning products and polishes-waxes and consumer air care products、biocidal products、cosmetics、and personal care products、[ExPub: ECHA REACH Registrations]、Farming (Feed Additives) [Category: Industry]、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8422]、Perfumery、flavors for tobacco、flavoring.、Methyl phenylacetate is the starting material in manufacture of synthetic perfumes.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 1 consumer products that contain Methyl phenylacetate in the following categories is provided:、• Personal Care、Methods of Manufacturing: Synthesis: By methanolic esterification of the corresponding acid or nitrile、by reacting HCl over a solution of benzyl nitrile in methanol.、Formulations、Preparations: Grade: Technical、FCC.、General Manufacturing Information: Benzeneacetic acid、methyl ester: ACTIVE、Natural occurrence: reported found in cocoa、coffee、strawberry、pineapple、pepper、hop oil、cognac、peanut、honey、starfruit、Bourbon vanilla、mountain papaya、roasted chicory root and roobis tea.、Methyl phenylacetate is found in cocoa and cocoa products. Methyl phenylacetate is a flavoring ingredient. Odoriferous constituent of many plants. Methyl phenylacetate is present in cocoa、coffee and strawberry.。
Methyl phenylacetate（CAS 101-41-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 101-41-7 |
|---|---|
| PubChem CID | 7559 |
| Molecular formula | C9H10O2 |
| Molecular weight | 150.07 g/mol |
| IUPAC name | methyl 2-phenylacetate |
| InChIKey | CRZQGDNQQAALAY-UHFFFAOYSA-N |
| UNII (FDA) | D4PDC41X96 |
| ChEBI ID | CHEBI:167404 |
| FEMA number | 2733 |
| JECFA number | 1008 |
| Molecular Weight | 150.17 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 150.068079557 |
| Monoisotopic Mass | 150.068079557 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 215 °C |
|---|---|
| Boiling Point | 215.00 to 217.00 °C. @ 760.00 mm Hg |
| Density | 1.062 g/mL |
| Density | 1.061-1.067 |
| Vapor Density | 5.18 (Air = 1) |
| Vapor Pressure | 0.16 [mmHg] |
| Vapor Pressure | 0.13 mm Hg at 20 °C |
| LogP | log Kow = 1.82 |
| LogP | 1.83 |
| Refractive Index | 1.504-1.510 |
METHYL PHENYLACETATE; 101-41-7; Methyl 2-phenylacetate; Benzeneacetic acid, methyl ester; Methyl benzeneacetate; Phenylacetic Acid Methyl Ester; Methyl alpha-toluate; Methyl phenylethanoate; Methyl benzeneethanoate; Phenylacetic acid, methyl ester; Acetic acid, phenyl-, methyl ester; FEMA No. 2733; DTXSID1044352; NSC 401667; D4PDC41X96; NSC-9405
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Honey, Jasmine No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 99.8% (1661 / 1664) |
| GHS notification summary | 99.8% (1661 / 1664) |
|---|---|
| Reported hazard statements | H227 |
This chemical does not meet GHS hazard criteria for 99.8% (1661 of 1664) of all reports.
Reported as not meeting GHS hazard criteria by 1661 of 1664 companies (only 0.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Methyl phenylacetate is identified by CAS 101-41-7, molecular formula C9H10O2 and molecular weight 150.07 g/mol. UNII D4PDC41X96; ChEBI 167404; InChIKey CRZQGDNQQAALAY-UHFFFAOYSA-N. Boiling Point: 215 °C; Boiling Point: 215.00 to 217.00 °C. @ 760.00 mm Hg; Density: 1.062 g/mL.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Methyl phenylacetate