CAS 81-25-4 MFCD00003672-Cholic acid 胆酸 TAO{mole}

Cholic acid 胆酸

CAS 81-25-4 MFCD00003672

化学结构图

SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

化学属性

Mol. Formula	C24 H40 O5
Mol. Weight	408.57
Density	1.422
Melting Point	200-201
TSCA	Yes
Solubility	150 G/L (20 ºC)
Appearance	本品存在于牛、羊、猪的胆汁中。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。Mp198℃，比旋度(c=0.6，乙醇)为+37°。1g胆酸约溶于300ml乙醇或丙酮，7ml冰醋酸，很少量溶于水。一水合物为白色片状结晶。1927年，H.Wieland(德国)研究胆酸组成，获诺贝尔化学奖。
Stability	对湿度敏感

别名和识别编码

Chemical Name	Cholic acid
Synonym	12-三羟甾代异戊酸,3α,7α,12α-三羟基-5β-胆烷酸,(3α,5β,7α,12α)-3,7,12-三羟基胆(甾)烷-24-酸单钠盐 12α-Trihydroxy-5β-cholan-24-oic acid. 3α,7α,12α-三羟基-5β-胆烷酸胆甾烷酸 3,7,12-TRIHYDROXYCHOLANIC ACID 3A,7A,12A-TRIHYDROXY-5B-CHOLAN-24-OIC ACID 3α,7α,12α-Trihydroxy-5α-cholanic acid, 3α,7α,12α-Trihydroxy-5β-cholanic acid, Cholanic acid 5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL 5beta-Cholan-24-oic acid, 3alpha,7alpha,12alpha-trihydroxy- CA CHOLALIC ACID CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, (3,5,7,12)- Cholalin Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)- Cholic Acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL Number	MFCD00003672
CAS Number	81-25-4
EC Number	201-337-8
Beilstein Registry Number	2822009
Merck Number	14,2203
PubChem Substance ID	221493
Chemical Name Translation	胆酸
Wiswesser Line Notation	L E5 B666TJ A1 DQ E1 FY1&2VQ KQ OQ
LabNetwork Molecule ID	LN00202370
InChI	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
Canonical SMILES	C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@@]21C

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分类

{SNA} Analytical Reagents, Analytical/Chromatography, Anionic Detergents, Antigen-Vaccine Preparation, Application Specific Reagents, Bile Salts, Bile acids and Derivatives, Bioactive Small Molecules, Biochemicals and Reagents, C-CH, Cell Biology, Cell Culture, Core Bioreagents, Detergents, Detergents A to M, Detergents by Applications, Diagnostic Applications, Drug Delivery-Liposomes, Electrophoresis Chromatography, Enzymology, Lipids, Membrane Protein Solubilization, Molecular Biology, Reagents for Extraction Analysis,
{SNA} Anionic Detergents,
{SNA} Analytical Standards,

产品应用

非变性离子去垢剂,用于抽提膜蛋白。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。

安全信息

Signal word Warning

GHS Symbol

WGK Germany2

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。

RTECSFZ9350000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Storage condition +4°C 2-8°C 4℃ Store at RT. 密封保存。

Hazard Codes Xi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4950 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - ulceration or bleeding from stomach
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   ESKHA5 Eisei Shikenjo Hokoku.  Bulletin of the Institute of Hygienic
   Sciences.  (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu,
   Setagaya-ku, Tokyo 158, Japan)  V.1-    1886-  Volume(issue)/page/year:
   (103),29,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 330 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 20,323,1970

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 400 mg/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 5,447,1984

TYPE OF TEST            : Morphological transformation
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 7560 mg/kg/6W
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 9,387,1988

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 158,45,1985

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 93200 umol/L
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   60,192,1987

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛

其他信息

鉴别试验:溶解性极难溶于水；溶于乙醇。按OT-42方法测定。熔程 197～202℃。按常规方法测定。用50%醋酸液配制0.02%试样液，取1m1，加1%糠醛溶液1ml、水6ml和浓硫酸5ml。此混合液在5min内应转变成玫瑰色后又转紫色。取试样约10mg，加苯甲醛2滴和3：1硫酸3滴，在50℃下加热5min。再加冰醋酸约10ml，应呈棕色。
上游原料:乙醇 --> 乙酸乙
检测方法:Chromatography, colorimetry
参考质量标准:FAO/WHO，1992 含量 ≥98.0% 干燥失重 ≤0.5% 硫酸盐灰分(GT-5试样2g) ≤0.1% 比旋光度[口]分(配2%试样乙醇液，w/y) ≥+37。砷(GT-3) ≤3mg/kg 铅(GT-18) ≤10mg.kg 重金属(GT-16-2) ≤40mg/kg
所属类别一:食品添加剂: 乳化剂、增稠剂和稳定剂
含量分析:精确称取140℃真空干燥4h后的试样约400mg，放人250ml烧瓶中，加水20ml和乙醇40ml，盖上表面皿，在蒸汽浴上温和地加热至溶解后冷却。加酚酞试液(TS-167)5滴，用0.1mol/L氢氧化钠液滴定至粉红色并保持15s同时进行空白试验并作必要校正。每mL 0.1mol/L氢氧化钠相当于胆酸(C 24 H 40 O5)40.86mg。
用途一:一种具有类固醇结构的有机酸，能乳化脂肪，促进其消化作用
用途四:非变性离子去垢剂,用于抽提膜蛋白
用途五: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。
胆酸价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 K2701001 胆酸BC，99.0％ 25g 530元 2011/08/23 SC112901 胆酸 25g 215元 2010/06/21 159115000 胆酸 Cholic acid 97% 500 GR 3268元
图谱信息:胆酸(81-25-4)红外图谱(IR1) 胆酸(81-25-4)红外图谱(IR2) 胆酸(81-25-4)Raman光谱胆酸(81-25-4)核磁图( 13 CNMR)
Sigma Aldrich:81-25-4(sigmaaldrich)
方法一: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
用途三: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。