Reported in EPA TSCA Inventory.

The Deoxycholic acid, with the CAS registry number 83-44-3 and EINECS registry number 201-478-5, has the systematic name of (3α,5β,12α)-3,12-dihydroxycholan-24-oic acid. It is also known as deoxycholate, cholanoic acid, and 3α,12α-dihydroxy-5β-cholanate. It is a kind of white powder. And the molecular formula of this chemical is C₂₄H₄₀O₄. In addition, when pure, it comes in a white to off-white crystalline powder form.

The physical properties of Deoxycholic acid are as following: (1)ACD/LogP: 4.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.946; (4)ACD/LogD (pH 7.4): 2.149; (5)ACD/BCF (pH 5.5): 374.136; (6)ACD/BCF (pH 7.4): 5.973; (7)ACD/KOC (pH 5.5): 1416.189; (8)ACD/KOC (pH 7.4): 22.61; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 77.76 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 109.65 cm³; (15)Molar Volume: 347.857 cm³; (16)Polarizability: 43.469×10^-24cm³; (17)Surface Tension: 46.016 dyne/cm; (18)Density: 1.129 g/cm³; (19)Flash Point: 298.768 °C; (20)Enthalpy of Vaporization: 95.005 kJ/mol; (21)Boiling Point: 547.148 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation and uses of Deoxycholic acid: It is one of the secondary bile acids, which are metabolic byproducts of intestinal bacteria. And it is usually conjugated with glycine or taurine. It also acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent. In addition, it is used as a mild detergent for the isolation of membrane associated proteins. Besides, the sodium salt of deoxycholic acid - sodium deoxycholate, is often used as a biological detergent to lyse cells and solubilise cellular and membrane components.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing; Wear suitable gloves and eye/face protection; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
(2)InChI: InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
(3)InChIKey: KXGVEGMKQFWNSR-LLQZFEROBK

The toxicity data is as follows: