1-BUTAN-D9-OL

The 1-Butan-1,1,2,2,3,3,4,4,4-d₉-ol(9CI), with the CAS registry number 25493-17-8, is also known as 1-Butan-d₉-ol. This chemical's molecular formula is C₄HD₉O and molecular weight is 83.18. What's more, its systematic name is called (²H₉)Butan-1-ol.

Physical properties about 1-Butan-1,1,2,2,3,3,4,4,4-d₉-ol(9CI) are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.839; (4)ACD/LogD (pH 7.4): 0.839; (5)ACD/BCF (pH 5.5): 2.554; (6)ACD/BCF (pH 7.4): 2.554; (7)ACD/KOC (pH 5.5): 68.101; (8)ACD/KOC (pH 7.4): 68.101; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.396; (14)Molar Refractivity: 22.115 cm³; (15)Molar Volume: 92.069 cm³; (16)Surface Tension: 26.062 dyne/cm; (17)Density: 0.903 g/cm³; (18)Flash Point: 35 °C; (19)Enthalpy of Vaporization: 43.29 kJ/mol; (20)Boiling Point: 117.697 °C at 760 mmHg; (21)Vapour Pressure: 8.522 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is flammable and harmful if swallowed. It may cause damage to health and irritating to respiratory system, skin. In addition, its vapours may cause drowsiness and dizziness. Therefore, you should wear suitable gloves and eye/face protection. You could keep container tightly closed and in a well-ventilated place. What's more, you should keep away from food, drink and animal feeding stuffs. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. If swallowed, you should seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
(2) InChI: InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2
(3) InChIKey: LRHPLDYGYMQRHN-YNSOAAEFEK