左旋香芹酮 基本信息 | |||
---|---|---|---|
CAS号 | 6485-40-1 | 分子式 | C10H14O |
分子量 | 150.21800 | 精确质量 | 150.10400 |
PSA | 17.07000 | LogP | 2.48790 |
外观与性状:透明无色至淡黄色液体,留兰香气味
密度:0.960 g/mL at 20 °C(lit.)
熔点:25.2ºC
沸点:228-230 °C(lit.)
闪点:192 °F
水溶解性:PRACTICALLY INSOLUBLE
折射率:n20/D 1.498
蒸汽密度:5.2 (vs air)
存储条件/存储方法:库房低温通风干燥
制备方法
用于食品如口香糖等,(薄荷油L-香芹酮、薄荷糖L-薄荷醇)是橡皮糖调和香料的主要原料。也用于医药,做泥敷剂、口腔清凉剂、调味香料以及牙膏等的调和香料。124413-99-6
1,4-Dioxaspiro[4.5]dec-6-ene, 6-methyl-9-(1-methylethenyl)-, (9R)-
→
~95%
6485-40-1
左旋香芹酮
18383-51-2
反-香苇醇
→
~93%
6485-40-1
左旋香芹酮
308363-12-4
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enol
→
~93%
6485-40-1
左旋香芹酮
CHEMICAL IDENTIFICATION
RTECS NUMBER :OS8650000
CHEMICAL NAME :p-Mentha-6,8-dien-2-one, (R)-(-)-
CAS REGISTRY NUMBER :6485-40-1
LAST UPDATED :199701
DATA ITEMS CITED :5
MOLECULAR FORMULA :C10-H14-O
MOLECULAR WEIGHT :150.24
WISWESSER LINE NOTATION :L6V BUTJ B1 EY1&U1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rat
DOSE/DURATION :1640 mg/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
REFERENCE :FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 11,1057,1973
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Intravenous
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :56 mg/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
REFERENCE :CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02834
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - guinea pig
DOSE/DURATION :766 mg/kg
TOXIC EFFECTS :Details of toxic effects not reported other than lethal dose value
REFERENCE :FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 11,1057,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X8585 No. of Facilities: 459 (estimated) No. of Industries: 8 No. of Occupations: 39 No. of Employees: 19245 (estimated) No. of Female Employees: 10383 (estimated)
1.疏水参数计算参考值(XlogP):2.4
2.氢键供体数量:0
3.氢键受体数量:1
4.可旋转化学键数量:1
5.互变异构体数量:5
6.拓扑分子极性表面积17.1
7.重原子数量:11
8.表面电荷:0
9.复杂度:223
10.同位素原子数量:0
11.确定原子立构中心数量:1
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
安全信息
海关代码:29142900
WGK_Germany:2
德国有关水污染物质的分类清单
危险类别码:R22
安全说明:S36
RTECS号:OS8650000
安全标志:S36:穿戴合适的防护服装。
危险标志:Xn:Harmful;
海关信息
308363-12-4
(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enol
99-48-9
L-香芹醇
36616-60-1
p-Menth-8-en-2-one, 1,6-epoxy-, (1R,4R,6R)-(-)
85879-89-6
(2S,3S,5S)-5-isopropenyl-2-methyl-3-phenylsulfanylcyclohexanone
85849-24-7
(2S,3R,5S)-5-isopropenyl-2-methyl-3-phenylsulfanylcyclohexanone
5989-27-5
d-柠檬烯
499-75-2
香芹酚
499-70-7
反-2-甲基-5-(1-甲基乙基)-环己酮
34182-03-1
(4R)-8-hydroxycarvotanacetone
3858-47-7
5-isopropyl-2-methylcyclohexanol
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德国朗盛防老剂Vulkanox 310008-26