CAS: 3391-83-1; 1,7-Dioxacycloheptadecan-8-One

该化合物是环形酯(内酯),其特点是16人环状结构,在11个位置上含有氧异氧气分离器,该化合物具有独特的结构特征,能够用作可生物降解聚合物的单体或特殊化学品准备的中间体,因此对有机合成和材料科学感兴趣,其含氧环状系统具有灵活性和功能化潜力,对设计定制的大型分子具有价值.在受控条件下,内酯的稳定性和再活性进一步提高了其在精确化学应用中的效用,包括催化和聚合物的修改.

英文名称1,7-Dioxacycloheptadecan-8-One
中文名称麝香105
IUPAC名称1,7-dioxacycloheptadecan-8-one
其它别名11-Oxahexadecanolide; 1,7-Dioxacycloheptadecan-17-One; 1,7-Dioxacycloheptadecan-8-One; 10-((5-Hydroxypentyl)Oxy)-Decanoicacio-Lactone; 16-Hydroxy-11-Oxahexadecanoicacid,Omega-Lactone; Musk R-1; 11-Oxahexadecan-16-Olide; 11-Oxahexadecan-16-Olid
CAS编号3391-83-1
EINECS号:222-225-5
分子式:C15H28O3
分子量:256.39
产品CID: 1339474
产品分类香精与香料 → 合成香料 → 麝香和大环类香料

相似结构搜索
InChIKey: MKEIDVFLAWJKMY-UHFFFAOYSA-N
InChI=1S/C15H28O3/c16-15-11-7-4-2-1-3-5-8-12-17-13-9-6-10-14-18-15/h1-14H2…
计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数0.0

物理性质

熔点35 °C
沸点411.1 °C at 760 mmHg
闪点174.4 °C
密度0.915 g/cm3
PSA:35.53
LogP:3.8509
折射率1.43
蒸汽压5.72E-07 mmHg at 25 °C
溶解性Almost insoluble in water, soluble in alcohol and oils.
敏感性优雅的花香-麝香香气扩散力强持久。
外观形态白色半透明晶体
储存条件贮运及保管镀锌铁桶装。正常贮运比较安全。
产品应用该化合物用作中高级化妆品,特别是各种肥皂香料和香料香水.

MSDS等安全信息

危险类别水生慢性毒性类别3
警示词Warning
危险描述H412 |对水生生物有害并具有长期持续影响.
防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338-

欧盟法规

REACH注册ECHA物质C&L通报REACH预注册

合成工艺路线路线简述

海关参考信息

2905121000-正丙醇
2905130000-正丁醇
2909110000-乙醚
2912110000-甲醛
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-9156774-B2
优先权日:2011-03-25
标题 :Carboxylic acid ester compound and method for producing same, and fragrance composition
发明人：KITAMURA MITSUHARU
权利人:KITAMURA MITSUHARU; MITSUBISHI GAS CHEMICAL CO
摘要:The present invention provides a novel carboxylic acid ester compound useful as a fragrance component or a material for a compound fragrance and a method for producing the same, and provides a fragrance composition including the carboxylic acid ester compound. The present invention also provides an acyl fluorides of a 2,4-dimethyl-bicyclo[2.2.2]octane compound and the esters thereof, useful as the raw materials (inclusive of the intermediates of organic synthesis), for example, for the medicines, agricultural chemicals, fragrances, functional resins, optical functional materials and electronic functional materials. The carboxylic acid ester compound of the present invention is a compound represented by the general formula (1). n n(In the formula, one of R 1 and R 2 is a methyl group and the other of R 1 and R 2 is â€”COOR, and R is an alkyl group having 1 to 4 carbon atoms.)