胆酸钠

胆酸钠 基本信息
CAS号 361-09-1 分子式 C24H39NaO5
分子量 430.55300 精确质量 　430.27000
PSA 　100.82000 LogP 　2.11400
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等价的CAS号：

361-09-1,20424-19-5,32500-01-9
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 上下游

基本信息 展开↓

CAS号：
361-09-1
3D弹球模型：
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分子式：
C24H39NaO5
分子量：
430.55300
中文名称：
胆酸钠
英文名称：
sodium cholate
中文别名：
胆酸钠;
3α,7α,12α-三羟基-5β-胆烷酸单钠盐;
牛羊胆酸
英文别名：
sodium cholate;
7,12-Triol;
colalin;
SODIUMCHOLATE,REAGENT;
cholsaeure;
CHOLIC ACID NA-SALT;
deoxycholic acid sodium salt;
Cholic acid,sodium salt;
cholic acid sodium;
CHOLIC ACID SODIUM SALT;
SODIUM CHOLEATE;
sodium salt of cholic acid;
Cholic Acid Sodium Salt;
SodiumCholate;
Sodium cholate;
Cholic acid;
3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid sodium salt,Cholalic acid sodium salt;
CHOLALIC ACID
精确分子量/精确质量：
430.27000
极性分子表面积/PSA：
100.82000
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。
EINECS：
206-643-5
InChI：
The Key: NRHMKIHPTBHXPF-XBXJWQRLSA-M

生产制备方法及用途展开↓

制备方法

1.将猪（或羊、牛）胆汁加热浓缩至半，趁热加入1～2倍体积的95%乙醇，回流提取，得提取液。提取液冷却，过滤，滤液浓缩后得浸膏。浸膏中加入稀盐酸，调节pH=3～4，放置过夜，倾出上清液，过滤，沉淀物为胆汁酸粗品。也可以将胆汁中加入氢氧化钠，加热煮沸20～24h，然后调整pH值为2～3，出现黑色膏状物，取出膏状物洗至中性，得粗胆汁酸。粗胆汁酸加酸水洗1～2次，再加95%乙醇加热溶解，用碱调pH =8～8.5，然后加活性炭脱色，过滤，滤液蒸馏回收乙醇，然后结晶，过滤，干燥，可制得胆汁酸成品。

合成制备方法

1.将猪（或羊、牛）胆汁加热浓缩至半，趁热加入1～2倍体积的95%乙醇，回流提取，得提取液。提取液冷却，过滤，滤液浓缩后得浸膏。浸膏中加入稀盐酸，调节pH=3～4，放置过夜，倾出上清液，过滤，沉淀物为胆汁酸粗品。也可以将胆汁中加入氢氧化钠，加热煮沸20～24h，然后调整pH值为2～3，出现黑色膏状物，取出膏状物洗至中性，得粗胆汁酸。

粗胆汁酸加酸水洗1～2次，再加95%乙醇加热溶解，用碱调pH =8～8.5，然后加活性炭脱色，过滤，滤液蒸馏回收乙醇，然后结晶，过滤，干燥，可制得胆汁酸成品。

 

用途简介

可以用于制取防止胆石生成的药物。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

1.可以用于制取防止胆石生成的药物。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。

物化性质展开↓

外观与性状：
白色晶体
熔点：
198ºC
沸点：
583.9ºC at 760 mmHg
闪点：
321ºC
水溶解性：
150 g/L (20 ºC)
折射率：
35 ° (C=0.6, EtOH)
存储条件/存储方法：

棕色玻璃瓶密封包装。低温下存放。

稳定性相关：

1.胆酸一水合物为白色片状结晶。无水物熔点198℃。15℃溶解度（g/L）：水0.28；醇30.56；醚1.22；氯仿5.08；苯0.36；丙酮28.24；冰醋酸152.12，也溶于碱溶液。味先苦后甜，遇毛地黄皂苷不产生沉淀。

其它信息：

性状：本品为白色粉末，无臭，味苦。

密度（g/mL,25/4℃）： 不可用

相对蒸汽密度（g/mL,空气=1）：不可用

熔点（ºC）：197-202

沸点（ºC,常压）：不可用

沸点（ºC,5.2kPa）： 不可用

折射率： 不可用

闪点（ºC）： 不可用

比旋光度（º）： 不可用

自燃点或引燃温度（ºC）： 不可用

蒸气压（kPa,25ºC）： 不可用

饱和蒸气压（kPa,60ºC）： 不可用

燃烧热（KJ/mol）：不可用

临界温度（ºC）： 不可用

临界压力（KPa）： 不可用

油水（辛醇/水）分配系数的对数值：不可用 

爆炸上限（%,V/V）：不可用

爆炸下限（%,V/V）： 不可用

溶解性：其碱金属盐均易溶于水和醇中。

安全信息展开↓

危险类别码：
36/37/38
安全说明：
S24/25
RTECS号：
FZ9600000
危险标志：
Xi

合成路线查看所有的合成路线

  • 81-25-4

    胆酸

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    胆酸钠

化学图谱

  1. 胆汁酸核磁图(13CNMR)

  2. 胆汁酸红外图谱(IR1)

  3. 胆汁酸红外图谱(IR2)

  4. 胆汁酸Raman光谱

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FZ9600000
CHEMICAL NAME :
Cholic acid, sodium salt
CAS REGISTRY NUMBER :
361-09-1
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C24-H39-O5.Na
MOLECULAR WEIGHT :
430.62
WISWESSER LINE NOTATION :
L E5 B666TJ A1 DQ E1 FY1&2VO KQ OQ &-NA- &38/28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2400 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine
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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
164 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Lungs, Thorax, or Respiration - other changes 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 :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 90,18,1952
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ZGEMAZ Zeitschrift fuer die Gesamte Experimentelle Medizin. (Berlin, Fed. Rep. Ger.) V.1-139, 1913-65. For publisher information, see REXMAS. Volume(issue)/page/year: 52,779,1926 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1798 No. of Facilities: 82 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 82 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1798 No. of Facilities: 585 (estimated) No. of Industries: 2 No. of Occupations: 6 No. of Employees: 6463 (estimated) No. of Female Employees: 4599 (estimated)
毒理学数据：

 

MSDS 展开↓

Name: Cholic acid sodium salt 99% (Titr.) Material Safety Data Sheet
Synonym: Sodium cholate; 3alpha,7alpha,12alpha-Trihydroxy-5-cholanic acid sodium salt; Cholic acid, monosodium salt, sodium cholic acid; Cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3-alpha,5-beta,7-alpha; Cholic acid, monosodium salt; D
CAS: 361-09-1
Section 1 - Chemical Product   MSDS Name:Cholic acid sodium salt 99% (Titr.) Material Safety Data Sheet
Synonym:Sodium cholate; 3alpha,7alpha,12alpha-Trihydroxy-5-cholanic acid sodium salt; Cholic acid, monosodium salt, sodium cholic acid; Cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3-alpha,5-beta,7-alpha; Cholic acid, monosodium salt; D
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
361-09-1 Cholic acid sodium salt 99 206-643-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Hygroscopic (absorbs moisture from the air).The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation. May cause effects similar to those described for ingestion.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 361-09-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 198 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble.
Specific Gravity/Density: Not available.
Molecular Formula: C24H39NaO5
Molecular Weight: 430.55
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, moisture.
Hazardous Decomposition Products:
Acrid smoke and fumes.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 361-09-1: FZ9600000 LD50/LC50:
CAS# 361-09-1: Oral, mouse: LD50 = 2400 mg/kg.
Carcinogenicity:
Cholic acid sodium salt - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 361-09-1: 1
Canada
CAS# 361-09-1 is listed on Canada's DSL List.
CAS# 361-09-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 361-09-1 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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