1-Phenylethyl Acetate

HCID 62341CAS 29759-11-3

Grundinformationen

Standard-SMILES
CC(=O)OC(C)c1ccccc1
InChIKey
QUMXDOLUJCHOAY-UHFFFAOYSA-N
Summenformel
C10H12O2
Durchschnittliche Molmasse
164,2 g/mol
Monoisotopische Masse
164,08372962

Überblick

1-Phenylethyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.

Namen und Bezeichner

Bevorzugter Name
1-Phenylethyl Acetate
IUPAC
1-phenylethyl acetate
Englischer Name
Methylbenzyl acetate
Summenformel
C10
Molmasse
0

Namen und Synonyme

1-Phenylethyl acetate93-92-5Styralyl acetatealpha-Methylbenzyl acetateMethylphenylcarbinyl acetateMethyl phenyl carbinyl acetatemethyl phenylcarbinyl acetatesec-Phenylethyl acetateUNII-FYS3E9NBA3.alpha.-Methylbenzyl acetateEINECS 202-288-5DTXSID6041636
Weitere Namen anzeigen
METHYLBENZYLACETATE(MIXEDORTHO,META,PARA)
Benzenemethanol, alpha-methyl-, acetateBENZENEMETHANOL, .ALPHA.-METHYL-, ACETATE1-Acetoxy-1-phenylethaneBRN 1908635AI3-18152FEMA 2684NSC-2397EC 202-288-5

Datenbank-Bezeichner

CAS
29759-11-3、93-92-5
PubChem CID
62341
DTXSID
DTXSID6041636
ChEMBL
CHEMBL3184429
ChEBI
CHEBI:180412
UNII
FYS3E9NBA3
EC Number
202-288-5、608-412-8
Nikkaji
J155.063B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (alpha-Methylbenzyl acetate) -> IFRA transparency List
Food Additives · 2 Einträge

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density · 2 Einträge

1.024-1.040

1.020-1.035

Flavoring AgentsEU Flavoring substances
Solubility · 4 Einträge

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point · 3 Einträge

94.00 to 95.00 °C. @ 12.00 mm Hg

215-222 °C

214 °C

Physikochemische Eigenschaften

FEMA
3702 · 3702 | METHYLBENZYL ACETATE (MIXED O,M,P)
Geruch (Odor)
1 % · at 1.00 % in dipropylene glycol. sweet floral fruity herbal
Geruchsart
floral
JECFA Number
863 · 863
Kosmetik-Inhaltsstoffe Funktionen
PERFUMINGFRAGRANCE
LogP
2.28 · 2.28

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (1775 of 1775) of all reports.

Not Classified

Aggregated GHS information provided per 1775 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Benzenemethanol, .alpha.-methyl-, acetate

Regulation (EC) No 1831/2003 (amended)

Benzenemethanol, .alpha.-methyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, .alpha.-methyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12745

Benzenemethanol, .alpha.-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 114 consumer products that contain Methylbenzyl Acetate in the following categories is provided:
Use Classification · 5 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 Einträge

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

Benzenemethanol, .alpha.-methyl-, 1-acetate: ACTIVE

Anwendungen

BeschreibungSynthesis: By acetylation of the alcohol.

Darstellung

synthetischeBy acetylation of the alcohol.

Anbieter50 Anbieter

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

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