ChemicalBook--->CAS DataBase List--->302-95-4

302-95-4

302-95-4 Structure

302-95-4 Structure
IdentificationMore
[Name]

Sodium deoxycholate
[CAS]

302-95-4
[Synonyms]

17B-(1-METHYL-3-CARBOXYPROPYL)ETIOCHOLANE-3A,12A-DIOL SODIUM SALT
3A,12A-DIHYDROXYCHOLANIC ACID SODIUM SALT
3ALPHA,12ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OIC ACID, SODIUM SALT
3ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOLANIC ACID SODIUM SALT
5-BETA-CHOLAN-24-OIC ACID-3A,12A-DIOLE SODIUM SALT
5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL SODIUM
5-BETA-CHOLANIC ACID-3-ALPHA, 12-ALPHA-DIOL SODIUM SALT
7-DEOXYCHOLIC ACID SODIUM SALT
CHOLEIC ACID SODIUM SALT
DEOXYCHOLIC ACID NA-SALT
DEOXYCHOLIC ACID SODIUM SALT
DESOXYCHOLIC ACID SODIUM SALT
OXIDE EXTRACT
SODIUM CHOLEATE
SODIUM DEOXYCHOLATE
SODIUM DESOXYCHOLATE
(3-alpha,5-beta,12-alpha)-12-dihydroxy-cholan-24-oicacidmonosodiumsalt
3,12-dihydroxy-,monosodiumsalt,(3.alpha.,5.beta.,12.alpha.)-Cholan-24-oicacid
3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oicacisodiumsalt
cholan-24-oicacid,3,12-dihydroxy-,monosodiumsalt,(3-alpha,5-beta,12-alph
[EINECS(EC#)]

206-132-7
[Molecular Formula]

C24H39NaO4
[MDL Number]

MFCD00064139
[Molecular Weight]

414.55
[MOL File]

302-95-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to cream crystalline powder
[Melting point ]

357-365 °C
[alpha ]

44 º (c=2, H2O)
[bulk density]

200kg/m3
[density ]

1.012 at 20.07℃
[vapor pressure ]

0Pa at 20℃
[Fp ]

>110°C (own results)
[storage temp. ]

Store at RT.
[solubility ]

water: soluble1 gm in 10 ml, clear, colorless to very faintly yellow
[form ]

Powder
[pka]

6.2
[color ]

Yellow-tan
[Odor]

Odorless
[PH]

7.5-9.0 (20g/l, H2O, 20℃)
[PH Range]

7 - 10
[biological source]

ox bile
[Optical Rotation]

[α]20/D +44±2°, c = 2% in H2O
[Water Solubility ]

330 g/L (15 ºC)
[BRN ]

3581950
[Hydrophilic-Lipophilic Balance (HLB)]

16
[Cosmetics Ingredients Functions]

SKIN CONDITIONING
[InChIKey]

FHHPUSMSKHSNKW-SMOYURAASA-M
[SMILES]

[Na+].[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H]([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
[LogP]

5.35 at 22℃ and pH5.7
[Surface tension]

41.8mN/m at 1g/L and 20℃
[CAS DataBase Reference]

302-95-4(CAS DataBase Reference)
[EPA Substance Registry System]

302-95-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P501
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R37:Irritating to the respiratory system.
[Safety Statements ]

S22:Do not breathe dust .
[WGK Germany ]

3
[RTECS ]

FZ2250000
[F ]

3-10
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29181930
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
[Safety Profile]

Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and subcutaneous routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NasO.
[Toxicity]

LD50 orally in Rabbit: 1370 mg/kg
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Sodium deoxycholate(302-95-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Sodium deoxycholate is white to cream crystalline powder
[Uses]

Sodium deoxycholate is an ionic detergent for the solubilization of membrane-bound proteins.
[Uses]

Sodium deoxycholate is used as a component in cell lysis buffers.
[Definition]

ChEBI: Sodium deoxycholate is a bile acid salt. It contains a deoxycholate.
[General Description]

Sodium deoxycholate is a bile salt and an ionic detergent. Bile salts work along with lipids/fats/cholesterol and form mixed micelles in the intestine. These micelles help in fat digestion and absorption through the intestinal wall.
[Biological Activity]

Sodium deoxycholate (SDC) is an anionic detergent which has been used both to destroy infectious viruses and to fractionate viral components. Sodium deoxycholate begins to bind to the virus at less than 0.1 mM free equilibrium concentration. It causes lysis of the viral membrane at 0.9 +/- 0.1 mM free equilibrium concentration when 2.2 +/- 0.2 - 103 mol of sodium deoxycholate are bound per mol of the virus. The liberation of proteins from the membrane begins at 1.5 +/- 0.1 mM sodium deoxycholate, and the proteins released are virtually free from phospholipids above 2.0 mM sodium deoxycholate. The overall mechanism of sodium deoxycholate solubilization of the viral membrane resembles that of Triton X-100 and sodium dodecyl sulphate, except that with sodium deoxycholate, the various stages of membrane disruption occur at about 10-fold higher equilibrium free detergent concentrations. At sodium deoxycholate concentrations higher than 2.3 mM, the viral spike glycoproteins can be separated by sucrose gradient centrifugation or gel filtration into constituent polypeptides E1, E2 and E3[1-2].
[Biochem/physiol Actions]

Solubilizes fats for absorption in the intestines.
[Synthesis]

Sodium deoxycholate can be prepared by that: 100g of industrial deoxycholic acid (purity 97%) in a 1000mL flask with mechanical stirring, reflux condenser and thermometer, 600mL of absolute ethanol, heating to 60 ℃ with stirring, adding 2g of activated carbon, and stirring for 2h, wherein the slightly turbid solution is obtained. Hot filtered and passed through a 0.45 μm microfiltration membrane. Slowly adding newly prepared sodium hydroxide ethanol solution (the mass concentration of sodium hydroxide is 6%) into the filtrate while stirring until the pH value of the reaction solution is 7.5, continuously stirring for 2h, concentrating under reduced pressure until the concentration of sodium deoxycholate is 25 wt%, cooling to room temperature, and continuously pulping for 5 h. Filtering, leaching the filter cake with absolute ethyl alcohol, drying at 85 ℃ to obtain 97.1g of white sodium deoxycholate powder, wherein the yield is 94.8%, the purity is 100%, the optical rotation is + 44.5%, the sodium content is 6.0%, the heavy metal content is less than or equal to 0.002%, and the arsenic content is less than or equal to 0.0002%.
[Purification Methods]

Recrystallise it from EtOH and dry it in an oven at 100o. The solution is freed from soluble components by repeated extraction with acid-washed charcoal. [Beilstein 10 IV 1608.]
[References]

[1] A Helenius. “Solubilization of the Semliki Forest virus membrane with sodium deoxycholate.” Biochimica et biophysica acta 436 2 (1976): 319–34.
[2] A E Auletta, M L Marlowe. “Effect of sodium deoxycholate on rubella virus.” Applied microbiology 16 10 (1968): 1624.
Spectrum DetailBack Directory
[Spectrum Detail]

Sodium deoxycholate(302-95-4)1HNMR
Sodium deoxycholate(302-95-4)13CNMR
Sodium deoxycholate(302-95-4)IR1
Sodium deoxycholate(302-95-4)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Deoxycholic acid, sodium salt, extra pure, 99%(302-95-4)
[Sigma Aldrich]

302-95-4(sigmaaldrich)
[TCI AMERICA]

Sodium Deoxycholate,>98.0%(T)(302-95-4)
302-95-4 suppliers list
Company Name: Shanghai xinchenfa Chemical Technology Co.,Ltd  Gold
Telephone: 021-13564487020 13564487020
Website:
Company Name: Wuhu Nuowei Chemical Technology Co., Ltd  Gold
Telephone: 0553-8233716 18055326116
Website: www.nuowei-chem.com
Company Name: Wuhan Huajiu Pharmaceutical Technology Co.,Ltd.  Gold
Telephone: 027-59225746 18062681621
Website: www.chemicalbook.com/supplier/23509015/
Company Name: Kono Chem Co., Ltd  Gold
Telephone: 029-86107037-8014 18292830413
Website: http://www.konochemical.com
Company Name: Shaanxi Pioneer Biotech Co.,Ltd  Gold
Telephone: 18629309720
Website: http://www.pioneerbiotech.com
Company Name: Shaanxi Pioneer Biotech Co., Ltd.  Gold
Telephone: 13720616393;029-84385017-8003 13720616393
Website: http://www.pioneerbiotech.com
Company Name: Shanghai CanSpecsci Instrument Co., Ltd.  Gold
Telephone: 400-6087598 15021221957
Website: https://www.canspec.cn/
Company Name: Shanghai?Medlife?Pharm-Tech?Co.,?Ltd  Gold
Telephone: 4000862158 18117107507
Website: www.med-life.cn/
Company Name: Hunan Zhangjiajie Hengkang Biological Pharmaceutical Co., LTD  Gold
Telephone: 0731-85561023 18973109536
Website: http://www.hengkangapi.com
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Beijing HwrkChemical Technology Co., Ltd  
Telephone: 89508211 18501085097
Website: www.hwrkchemical.com
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Adamas Reagent, Ltd.  
Telephone: 400-6009262 15618770481
Website: www.tansoole.com
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Chemsky(shanghai)International Co.,Ltd.  
Telephone: 021-50135380
Website: www.shchemsky.com
Tags:302-95-4 Related Product Information
141-53-7 1310-73-2 144-55-8 127-09-3 497-19-8 527-07-1 474-25-9 15307-79-6 145-42-6 19130-96-2 53936-56-4 128-13-2 7647-14-5 83-44-3 532-32-1 9003-98-9 438545-06-3 9007-49-2