메틸벤질아세테이트

메틸벤질아세테이트 · METHYLBENZYL아세테이트 · METHYLBENZYLACETATE(MIXEDORTHO,META,PARA)

식별자 및 물리적 특성

CAS No.	29759-11-3
분자식	C10H12O2
평균 분자량	164.2 g/mol
단동위원소 질량	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
현지명	메틸벤질아세테이트

XLogP	2
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	148
향료	Fragrance Ingredient (alpha-Methylbenzyl acetate) -> IFRA transparency List
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	1.024-1.0401.020-1.035
향미제	EU Flavoring substances
용해도	insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol)
끓는 점	94.00 to 95.00 °C. @ 12.00 mm Hg215-222 °C214 °C
굴절률	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)
냄새	디프로필렌 글리콜 중 1.00%. 달콤한 꽃 과일 허브
향취 유형	꽃향기
JECFA Number	863
화장품 원료 기능	향수향기
LogP(분배 계수)	2.28

GHS 분류	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.
규제 정보	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