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Diisopropyl D-tartrate

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Name

Diisopropyl D-tartrate

EINECS 263-771-4
CAS No. 62961-64-2 Density 1.188 g/cm3
PSA 93.06000 LogP -0.38860
Solubility N/A Melting Point N/A
Formula C10H18O6 Boiling Point 268.1 °C at 760 mmHg
Molecular Weight 234.249 Flash Point 109.4 °C
Transport Information N/A Appearance colorless to light yellow liquid
Safety 23-24/25-26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 62961-64-2 (Diisopropyl D-tartrate) Hazard Symbols IrritantXi
Synonyms

Butanedioic acid,2,3-dihydroxy-, bis(1-methylethyl) ester, [S-(R*,R*)]-;(-)-DIPT;(2S,3S)-Diisopropyl tartrate;D-(-)-Diisopropyl tartrate;D-(-)-Tartaric aciddiisopropyl ester;Diisopropyl (-)-D-tartrate;Diisopropyl (-)-tartrate;Diisopropyl (S,S)-tartrate;Diisopropyl D-(-)-tartrate;

 

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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