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19905-58-9

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Basic Information
CAS No.: 19905-58-9
Name: OCTADECANOIC-2,2-D2 ACID
Article Data: 7
Molecular Structure:
Molecular Structure of 19905-58-9 (OCTADECANOIC-2,2-D2 ACID)
Formula: C18H34D2O2
Molecular Weight: 286.467
Synonyms: 2,2-DIDEUTEROOCTADECANOIC ACID;OCTADECANOIC-2,2-D2 ACID;STEARIC-2,2-D2 ACID;STEARIC-2,2-D2 ACID, 98 ATOM % D;octadecanoic acid-2,2-d2;Octadecanoic-d2 Acid
Density: 0.894 g/cm3
Melting Point: 68-70 °C
Boiling Point: 359.4 °C at 760 mmHg
Flash Point: 162.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 37.30000
LogP: 6.33250
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Specification

The Octadecanoic-2,2-d2 acid (9CI), with the CAS registry number 19905-58-9, is also known as Stearic acid-2,2-d2. This chemical's molecular formula is C18H34D2O2 and molecular weight is 286.49. What's more, its systematic name is called 2,2-Dideuteriooctadecanoic acid. It should be kept in a airtight, cold and dry place.

Physical properties about Octadecanoic-2,2-d2 acid (9CI) are: (1) ACD/LogP: 8.22; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 7.42; (4) ACD/LogD (pH 7.4): 5.63; (5) #H bond acceptors: 2; (6) #H bond donors: 1; (7) #Freely Rotating Bonds: 16; (8) Polar Surface Area: 37.3 Å2; (9) Index of Refraction: 1.455; (10) Molar Refractivity: 87 cm3; (11) Molar Volume: 320.2 cm3; (12) Surface Tension: 33.4 dyne/cm; (13) Density: 0.894 g/cm3; (14)Flash Point: 162.4 °C; (15) Enthalpy of Vaporization: 63.84 kJ/mol; (16) Boiling Point: 359.4 °C at 760 mmHg; (17) Vapour Pressure: 8.58E-06 mmHg at 25 °C; (18) Melting Point: 68-70 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])(CCCCCCCCCCCCCCCC)C(O)=O
(2) InChI: InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i17D2
(3) InChIKey: QIQXTHQIDYTFRH-FBCWWBABEX