酢酸2-メチルベンジル/酢酸3-メチルベンジル/酢酸4-メチルベンジル

酢酸2-メチルベンジル/酢酸3-メチルベンジル/酢酸4-メチルベンジル · METHYLBENZYLACETATE(MIXEDORTHO,META,PARA)

識別子と物理属性

CAS No.	29759-11-3
分子式	C10H12O2
平均分子量	164.2 g/mol
単同位体質量	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
現地名	酢酸2-メチルベンジル/酢酸3-メチルベンジル/酢酸4-メチルベンジル

XLogP	2
極性表面積	26.3
水素結合供与体数	0
水素結合受容体数	2
回転可能結合数	3
重原子数	12
形式電荷	0
複雑度	148
香料	Fragrance Ingredient (alpha-Methylbenzyl acetate) -> IFRA transparency List
食品添加物	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
密度	1.024-1.0401.020-1.035
香味料	EU Flavoring substances
溶解度	insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol)
沸点	94.00 to 95.00 °C. @ 12.00 mm Hg215-222 °C214 °C
屈折率	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)
臭い	ジプロピレングリコール中1.00%。甘い花のフルーティーなハーブ
においのタイプ	花柄
JECFA Number	863
化粧品成分の機能	香料香料
LogP（分配係数）	2.28

GHS 分類	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.
規制情報	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