Product Name

  • Name

    OCTADECANOIC-2,2-D2 ACID

  • EINECS
  • CAS No. 19905-58-9
  • Article Data7
  • CAS DataBase
  • Density 0.894 g/cm3
  • Solubility
  • Melting Point 68-70 °C
  • Formula C18H34D2O2
  • Boiling Point 359.4 °C at 760 mmHg
  • Molecular Weight 286.467
  • Flash Point 162.4 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 19905-58-9 (OCTADECANOIC-2,2-D2 ACID)
  • Hazard Symbols IrritantXi
  • 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
  • PSA 37.30000
  • LogP 6.33250

Octadecanoic-2,2-d2 acid (9CI) 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

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