1-Phenylethyl Acetate

METHYLBENZYLACETATE(MIXEDORTHO,META,PARA)

Identifikatoren & physikalische Daten

CAS No.	29759-11-3
Summenformel	C10H12O2
Durchschnittliche Molmasse	164,2 g/mol
Monoisotopische Masse	164,08372962 g/mol
SMILES	CC(=O)OC(C)c1ccccc1
InChIKey	QUMXDOLUJCHOAY-UHFFFAOYSA-N
PubChem CID	62341
ChEMBL	CHEMBL3184429
ChEBI	CHEBI:180412
EC No.	202-288-5
DTXSID	DTXSID6041636

XLogP	2
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	12
Formalladung	0
Komplexität	148
Duftstoffe	Fragrance Ingredient (alpha-Methylbenzyl acetate) -> IFRA transparency List
Lebensmittelzusatzstoffe	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte	1.024-1.0401.020-1.035
Aromastoffe	EU Flavoring substances
Löslichkeit	insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol)
Siedepunkt	94.00 to 95.00 °C. @ 12.00 mm Hg215-222 °C214 °C
Brechungsindex	1.500-1.5101.492-1.504
Physical Description	LiquidDry PowderCBIcolourless liquid with a powerful sweet floral-fruity, herbaceous odourcolourless liquid with a powerful green-floral odour
FEMA	3702 \| METHYLBENZYL ACETATE (MIXED O,M,P)
Geruch	at 1.00 % in dipropylene glycol. sweet floral fruity herbal
Geruchsart	floral
JECFA Number	863
Kosmetik-Inhaltsstoffe Funktionen	PERFUMINGFRAGRANCE
LogP (Verteilungskoeffizient)	2.28

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 100% (1775 of 1775) of all reports.Not ClassifiedAggregated GHS information provided per 1775 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: Benzenemethanol, .alpha.-methyl-, acetateRegulation (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/12745Benzenemethanol, .alpha.-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Not Classified