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CAS号 81-25-4
中文别名 3alpha,7alpha,12alpha-三羟基-5beta-胆烷酸;胆酸(无水);3,17,12-三羟甾代异戊酸;无水胆酸;3,7,12-三羟基胆甾烷酸;膽酸;三羥膽烷酸
英文别名 3,7,12-TRIHYDROXYCHOLANIC ACID; 3A,7A,12A-TRIHYDROXY-5B-CHOLAN-24-OIC ACID; 3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLAN-24-IC ACID 3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLAN-24-OIC ACID; 3ALPHA, 7ALPHA, 12ALPHA-TRIHYDROXY-5BETA-CHOLANIC ACID; 5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL 7-ALPHA,8-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC ACID; CA ;CHOLALIN cholan-24-oic acid; CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, (3,5,7,12)- CHOLIC ACID; 3,7,12-Trihydroxy-cholan-24-oic acid; 5beta-Cholan-24-oic acid, 3alpha,7alpha,12alpha-trihydroxy- Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)- 12α-Trihydroxy-5β-cholan-24-oic acid. 3α,7α,12α-Trihydroxy-5α-cholanic acid, Cholic acd; Cyclosphorine
分子量 408.58
分子式 C24H40O5
EINECS编号 201-337-8
综合信息 查看供应
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胆酸物理化学性质

外观性状:为无色片状物或白色结晶粉末。有些苦味,尝后又有些甜的感觉。
熔点:200-201 °C(lit.)
比旋光度:36 º (c=0.6, 95% EtOH) 
溶解度:methanol: 0.1 g/mL, clear
水溶解性:0.28 g/L (15 ºC) 
Merck:14,2203 
BRN:2822009 

胆酸分子结构数据

1、摩尔折射率:111.24
2、摩尔体积(m3/mol):344.8
3、等张比容(90.2K):920.9
4、表面张力(dyne/cm):50.8
5、极化率(10-24cm3):44.09

胆酸产品用途

用途一:乳化剂。 
用途二:用于生化研究,医药中间体。胆酸钠是利胆药,治疗胆囊炎、胆汁缺乏、肠道消化不良等症。 
用途三:一种具有类固醇结构的有机酸,能乳化脂肪,促进其消化作用 

胆酸生产方法

生产方法一:从家畜(猪、牛、羊、兔)的胆汁中提取。 
生产方法二:方法一、乙醇结晶法
粗牛羊胆酸的制备 取牛或羊胆汁,加100 g/L氢氧化钠,加热煮沸12-18h,得皂化液。冷却后加酸调pH 1、析出胆酸,将胆酸取出,经水煮、漂洗、于75℃干燥、磨粉,得粗牛羊胆酸。
牛、羊胆酸[NaOH]→[100℃, 12-18h]皂化液[H2SO4]→[pH1, 75℃]粗牛、羊胆酸
牛羊胆酸成品的制备 取粗胆酸,加0.5-1倍量的95%乙醇,加热回流至固体溶解,冷却。取出结晶捣碎,过滤,加95%乙醇洗涤至滤液无色。结晶再加4倍量乙醇,加100-150g/L活性炭,加热回流至结晶溶解,趁热过滤,滤液浓缩至原体积的1/4,冷却,结晶,过滤,加乙醇洗涤结晶,干燥,得牛羊胆酸成品。
粗牛、羊胆酸[乙醇,活性炭]→精制液[90℃以下]→牛、羊胆酸成品。
方法二、乙酸乙酯分离法
粗制猪胆酸的制备 取新鲜猪胆汁,在搅拌下加3-3.5倍量饱和石灰水上清液,待加完后继续搅拌5-10min,加热至沸2min,冷却,过滤,滤液加盐酸调pH3.5,析出沉淀,静置12h以上,得粗胆酸。取出,水洗,加1.5倍氢氧化钠,加9倍水,加热煮沸12-18h,放冷,静置过夜,得膏状物。加水,加硫酸调pH 1,析出猪胆酸。
取出,捣碎,漂洗至无酸性,过滤,得粗制猪胆酸。$猪胆汁[饱和石灰水]→[100℃, pH11-12]碱性滤液[HCl]→[pH3.5]粗胆酸[水,NaOH]→膏状物[H2SO4]→[pH1]粗制猪胆酸。
猪胆酸成品的制备 取粗猪胆酸,加4倍量乙酸乙酯,加150-200g/L活性炭,加热回流0.5h,放冷,过滤,滤饼加1.5-2.5倍乙酸乙酯处理1次,合并两次滤液。加200g/L无水硫酸钠,静置过夜,浓缩至原体积的1/3,放出,冷却结晶,过滤,用乙酸乙酯洗涤结晶,干燥,得猪胆酸成品。
粗制猪胆酸[乙酸乙酯,活性炭]→滤液[无水硫酸钠]→滤液[浓缩]→猪胆酸成品。 

胆酸储运特性

塑料袋外套多层牛皮纸袋闭光密封包装或用棕色玻璃瓶密闭包装。贮存于低温干燥的库房中。

胆酸计算用化学数据

1、疏水参数计算参考值(XlogP):3.6
2、氢键供体数量:4
3、氢键受体数量:5
4、可旋转化学键数量:4
5、拓扑分子极性表面积(TPSA):98
6、重原子数量:29
7、表面电荷:0
8、复杂度:637
9、同位素原子数量:0
10、确定原子立构中心数量:11
11、不确定原子立构中心数量:0
12、确定化学键立构中心数量:0
13、不确定化学键立构中心数量:0
14、共价键单元数量:1 

安全术语
S24/25Avoid contact with skin and eyes.
避免与皮肤和眼睛接触。
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
不慎与眼睛接触后,请立即用大量清水冲洗并征求医生意见。
S36 Wear suitable protective clothing.
穿戴适当的防护服。
风险术语
R36/37/38 Irritating to eyes, respiratory system and skin.
刺激眼睛、呼吸系统和皮肤。
上游原料
17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one(10R,11S,13S,17R)-11-hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydrodispiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxolane-5',4''-[1,3]dioxolan]-3(2H)-onePolyethylene glycol;1,2-Ethanediol;Monoethylene glycol; Ethylene glycol(10'R,11'S,13'S)-10',13'-dimethyl-1',4',7',8',9',10',11',12',13',14',15',16'-dodecahydro-2'H-trispiro[[1,3]dioxolane-2,3'-cyclopenta[a]phenanthrene-17',4''-[1,3]dioxolane-5'',4'''-[1,3]dioxolan]-11'-ol(10'R,11'S,13'S,17'R)-11'-hydroxy-10',13'-dimethyl-1',8',9',10',11',12',13',14',15',16'-decahydro-2'H-trispiro[[1,3]dioxolane-2,3'-cyclopenta[a]phenanthrene-17',4''-[1,3]dioxolane-5'',4'''-[1,3]dioxolan]-7'(4'H)-one(5'R,10'S,11'S,13'S,17'R)-11'-hydroxy-10',13'-dimethyldodecahydro-2'H-trispiro[[1,3]dioxolane-2,3'-cyclopenta[a]phenanthrene-17',4''-[1,3]dioxolane-5'',4'''-[1,3]dioxolan]-7'(4'H)-one(5'R,7'R,10'S,11'S,13'S,17'R)-11'-hydroxy-10',13'-dimethyltetradecahydro-2'H-trispiro[[1,3]dioxolane-2,3'-cyclopenta[a]phenanthrene-17',4''-[1,3]dioxolane-5'',4'''-[1,3]dioxolan]-7'-yl acetate(5'R,7'R,10'S,13'S,17'R)-10',13'-dimethyl-1',4',5',6',7',8',10',12',13',14',15',16'-dodecahydro-2'H-trispiro[[1,3]dioxolane-2,3'-cyclopenta[a]phenanthrene-17',4''-[1,3]dioxolane-5'',4'''-[1,3]dioxolan]-7'-yl acetate(5'R,7'R,10'S,13'S,17'R)-10',13'-dimethyl-12'-oxo-1',4',5',6',7',8',10',12',13',14',15',16'-dodecahydro-2'H-trispiro[[1,3]dioxolane-2,3'-cyclopenta[a]phenanthrene-17',4''-[1,3]dioxolane-5'',4'''-[1,3]dioxolan]-7'-yl acetate(5'R,7'R,10'S,13'S,17'R)-10',13'-dimethyl-12'-oxotetradecahydro-2'H-trispiro[[1,3]dioxolane-2,3'-cyclopenta[a]phenanthrene-17',4''-[1,3]dioxolane-5'',4'''-[1,3]dioxolan]-7'-yl acetate(5'R,7'R,10'S,12'S,13'R,17'R)-10',13'-dimethyltetradecahydro-2'H-trispiro[[1,3]dioxolane-2,3'-cyclopenta[a]phenanthrene-17',4''-[1,3]dioxolane-5'',4'''-[1,3]dioxolane]-7',12'-diyl diacetate(5R,7R,10S,12S,13R,17R)-7,12,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one(3R,5S,7R,10S,12S,13R,17R)-17-(1,2-dihydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12,17-tetraol(3R,5S,7R,10S,12S,13R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-oneEthyl(triphenyl)phosphonium bromide; (Ethyl)triphenylphosphonium bromide(3R,5S,7R,10S,12S,13S,Z)-17-ethylidene-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triolmethyl propiolate(3R,5S,7R,8R,9S,10S,12S,13S,14S)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl triacetate(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl triacetate