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Ethanol-D6 (9CI)

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Name

Ethanol-D6 (9CI)

EINECS 216-162-2
CAS No. 1516-08-1 Density 0.892 g/mL at 25 °C
PSA 20.23000 LogP -0.00140
Solubility Soluble in water. Melting Point -130 °C(lit.)
Formula C2D6O Boiling Point 72.6 °C at 760 mmHg
Molecular Weight 52.0214 Flash Point 8.9 °C
Transport Information UN 1170 3/PG 2 Appearance Clear colorless liquid
Safety 7-16 Risk Codes 11
Molecular Structure Molecular Structure of 1516-08-1 (ETHANOL-D6) Hazard Symbols FlammableF
Synonyms

Ethyl-d5alcohol-d (6CI,7CI,8CI);Deuterioethanol-D6;Deuteroethanol-D6;Hexadeuterioethanol;Hexadeuteroethanol;Perdeuterioethanol;Perdeuteroethanol;

Article Data 13

Ethanol-D6 (9CI) Specification

The CAS register number of Ethanol-D6 (9CI) is 1516-08-1. It also can be called as Deuteroethanol-D6 and the systematic name about this chemical is (2H5)ethan(2H)ol. The molecular formula about this chemical is C2D6O and the molecular weight is 52.11.

Physical properties about Ethanol-D6 (9CI) are: (1)ACD/LogP: -0.19; (2)ACD/LogD (pH 5.5): -0.19; (3)ACD/LogD (pH 7.4): -0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.84; (7)ACD/KOC (pH 7.4): 18.84; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.354; (13)Molar Refractivity: 12.84 cm3; (14)Molar Volume: 59 cm3; (15)Polarizability: 5.09x10-24cm3; (16)Surface Tension: 22.3 dyne/cm; (17)Density: 0.882 g/cm3; (18)Flash Point: 8.9 °C; (19)Enthalpy of Vaporization: 38.56 kJ/mol; (20)Boiling Point: 72.6 °C at 760 mmHg; (21)Vapour Pressure: 82.8 mmHg at 25 °C.

Uses of Ethanol-D6 (9CI): it can be used to produce bromo-pentadeuterio-ethane. This reaction will need reagent of PBr3.

Ethanol-D6 (9CI) can be used to produce bromo-pentadeuterio-ethane.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. If you want to store it, keep container tightly closed and keep away from sources of ignition. If you store and use this chemical according the rule, it will not be decomposed. Please ensure that the workshop is well ventilated or equipped with exhaust device. This chemical may catch fire if in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C([2H])([2H])O[2H]
(2)InChI: InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
(3)InChIKey: LFQSCWFLJHTTHZ-LIDOUZCJEJ
(4)Std. InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D
(5)Std. InChIKey: LFQSCWFLJHTTHZ-LIDOUZCJSA-N

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