METHYL PHENYL ACETATE (CAS 101-41-7) — formula C9H10O2, molecular weight 150.17; category organic chemicals.
| CAS Number | 101-41-7 |
|---|---|
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.17 |
| Boiling Point | 215 °C |
| LogP | log Kow = 1.82 |
| Applications | 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. |
| Category | Organic Chemicals |
Documented applications: 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 PHENYL ACETATE is a carbon-based organic compound with CAS registry number 101-41-7 and molecular formula C9H10O2 (molecular weight 150.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 101-41-7
Its molecular formula C9H10O2 comprises 9 C, 10 H, 2 O atoms.
Also known as: METHYL PHENYL ACETATE · 苯乙酸甲酯 · Methyl phenylacetate
Category: organic chemicals
The CAS registry number of METHYL PHENYL ACETATE is 101-41-7.
Molecular formula C9H10O2, molecular weight 150.17.
It is also registered under: METHYL PHENYL ACETATE, 苯乙酸甲酯, Methyl phenylacetate.
Recorded applications: 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..
Category: Organic Chemicals.
Independent reference data for METHYL PHENYL ACETATE (CAS 101-41-7), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯乙酸甲酯