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Diisopropyl D-tartrate

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  • Name Diisopropyl D-tartrate
  • EINECS263-771-4
  • CAS No. 62961-64-2
  • Density1.188 g/cm3
  • PSA93.06000
  • LogP-0.38860
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H18O6
  • Boiling Point268.1 °C at 760 mmHg
  • Molecular Weight234.249
  • Flash Point109.4 °C
  • Transport InformationN/A
  • Appearancecolorless to light yellow liquid
  • Safety23-24/25-26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 62961-64-2 (Diisopropyl D-tartrate)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi

Diisopropyl D-tartrate Specification

This chemical is called Butanedioic acid, 2,3-dihydroxy-, 1,4-bis(1-methylethyl) ester, (2S,3S)-, and its CAS registry number is 62961-64-2. With the molecular formula of C10H18O6, its product categories are Pharmaceutical Intermediates; Asymmetric Synthesis; Chiral Building Blocks; Esters (Chiral); Synthetic Organic Chemistry; Hydroxy Acids & Deriv. In addition, this chemical should be sealed in the cool and dry place, away from oxides and water.

Other characteristics of the Butanedioic acid, 2,3-dihydroxy-, 1,4-bis(1-methylethyl) ester, (2S,3S)- can be summarised as followings: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1.2; (6)ACD/BCF (pH 7.4): 1.2; (7)ACD/KOC (pH 5.5): 39.54; (8)ACD/KOC (pH 7.4): 39.54; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 54.83 cm3; (15)Molar Volume: 197 cm3; (16)Polarizability: 21.73×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 109.4 °C; (20)Enthalpy of Vaporization: 58.77 kJ/mol; (21)Boiling Point: 268.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00106 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)C)[C@@H](O)[C@H](O)C(=O)OC(C)C
2.InChI: InChI=1/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m0/s1
3.InChIKey: XEBCWEDRGPSHQH-YUMQZZPRBP

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