桃金娘醇 | 515-00-4
中文名称:
桃金娘醇
英文名称:
Myrtenol
CAS No.:
515-00-4
分子式:
C1 0 H1 6 O
分子量:
152.23344
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:桃金娘醇结构式
名称和标识符
InChIKey
RXBQNMWIQKOSCS-UHFFFAOYSA-N
Inchi
1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
SMILES
CC1(C)C2CC1C(CO)=CC2 |c:9|
别名信息
- 中文别名 -
桃金娘醇
(-)-桃金娘烯醇
6,6-二甲基二环[3.1.1]庚-2-烯-2-甲醇
桃金娘烯醇
- 英文别名 -
Bicyclo[3.1.1]hept-2-ene-2-methanol,6,6-dimethyl-
(-)-pin-2-ene-10-ol
2-Pinen-10-ol
6,6-dimethyl-2-oxymethlybicyclo[1.1.3]-hept-2-ene (myrtenol)
6,6-Dimethyl-bicyclo[3,1,1]hept-2-ene-2-methanol
Myrtenol
Myrtenol (α-pinene-10-ol)
6,6-Dimethyl-2-(hydroxymethyl)bicyclo[3.1.1]hept-2-ene
6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanol
NSC 408846
alpha-Pinene-10-ol
myrtenol
物化性质
实验特性
LogP
1.97110
PSA
20.23000
折射率
1.49777 (589.3 nm 20 ºC)
沸点
222-224 ºC
闪点
89.4±0.0 ºC,
FEMA
3439 | MYRTENOL
溶解度
微溶 (3.7 g/L) (25 ºC),
颜色与性状
无色液体,有木香、草香、和辛香香气。
溶解性
不溶于水
密度
0.990 g/cm3 (20 ºC)
计算特性
精确分子量
152.12000
氢键供体数量
1
氢键受体数量
1
可旋转化学键数量
1
同位素质量
152.120115
重原子数量
11
复杂度
203
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
2
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
1.6
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
20.2
海关数据
海关编码
2906199090
海关数据
中国海关编码:
2906199090
概述:
2906199090. 其他环烷醇,环烯醇及环萜烯醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
生产方法和用途
用途
1.可用于薰衣草、柑橘型香精。 2. 可用于日化香精中。
生产方法
1. 烟草:FC,18。 2. 将β-蒎烯氯化、成酯、水解制取桃金娘烯醇 3. 将β-蒎烯先经光敏氧化,生成相应的氢过氧化物,再还原得到 ...
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