莪术醇

莪术醇 基本信息
CAS号 19431-84-6 分子式 C15H22O2
分子量 234.33400 精确质量 　234.16200
PSA 　29.46000 LogP 　3.17650
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
19431-84-6
分子式：
C15H22O2
分子量：
234.33400
中文名称：
莪术醇
英文名称：
curcumenol
中文别名：
莪术醇;
莪术烯醇;
Perfluorobutyl Ethylene;
3,3,4,4,5,5,6,6,6-nonafluorohexene;
4-Pregnene-16α,17α-epoxy-11β-ol-3,20-dione;
16α,17-epoxy-11α-hydroxypregn-4-ene-3,20-dione;
{[2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}{3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}acetic acid (non-preferred name);
POLYOXIN B 34% TK;
5-(2-amino-5-O-carbamoyl-2-deoxy-L-xylonamido-1,5-dideoxy-1-(3,4-dihydro-5-hydroxymethyl-2,4-dioxo-1(2H)-pyrimidinyl)-β-D-allofuranuronic acid;
α-phenylpiperidine-2-acetic acid;
ferrate(3-),tris(5,6-dihydro-5-(hydroxyimino)-6-oxo-2-naphthalenesulfonato(2-);
ferrate(3-),tris[5,6-dihydro-5-(hydroxyimino)-6-oxo-2-naphthalenesulfonato(2-);
Iron,tris[5,6-dihydro-5-(hydroxyimino)-6-oxo-2-naphthalenesulfonato-O5,O6]-,trisodiumsalt;
naptholgreenb;
6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid - iron (3:1);
5-nitroso-6-oxidonaphthalene-2-sulfonate;
2-naphthalenesulfonic acid, 6-hydroxy-5-nitroso-, iron(3+) sodium salt (3:1:3);
Naphthol Green B;
3-aminobutanenitrile;
2-amin
英文别名：
curcumenol;
(3S,3alphaS,6R,8alphaS)-1,2,3,4,5,8alpha-Hexahydro-3,8-dimethyl-5-(1-methylethylidene)-6H-3alpha,6-epoxyazulen-6-ol;
6H-3a,6-Epoxyazulen-6-ol,1,2,3,4,5,8a-hexahydro;
(3S,3aS,6R,8aS)-1,2,3,4,5,8a-hexahydro-3,8-dimethyl-5-(1-methylethylidene)-6H-3a,6-epoxyazulen-6-ol;
Curcumenol;
(1S,2S,5S,8R)-9-isopropylidene-2,6-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-6-en-8-ol;
3,8-dimethyl-5-(1-methylethylidene)-,(3S,3aS,6R,8aS);
(3S,3aS,6R,8aS)-3,8-dimethyl-5-(propan-2-ylidene)-1,2,3,4,5,8a-hexahydro-6H-3a,6-epoxyazulen-6-ol
精确分子量/精确质量：
234.16200
极性分子表面积/PSA：
29.46000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
InChI=1/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3

物化性质展开↓

密度：
1.1
沸点：
349.3ºC at 760 mmHg
闪点：
146.7ºC
折射率：
1.553
蒸汽压：
2.88E-06mmHg at 25°C

合成路线查看所有的合成路线

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    ~88%

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    莪术醇

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KC5020000
CHEMICAL NAME :
6H-3a,6-Epoxyazulen-6-ol, 1,2,3,4,5,8a-hexahydro-3,8-dimethyl-5-(1-methylethyli dene)-, (3S-(3-alpha,3a-alpha,6-alpha,8a-beta))-
CAS REGISTRY NUMBER :
19431-84-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H22-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85PEAG "Zhongliu Yanjiu" Cancer Review, Yu, R., et al., eds., Shanghai Science/Technology Publisher, Peop. Rep. China, 1994 Volume(issue)/page/year: -,178,1994

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