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6998-83-0

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Basic Information
CAS No.: 6998-83-0
Name: TRIMETHYL CIS,CIS-1,3,5-CYCLOHEXANETRICARBOXYLATE
Article Data: 6
Molecular Structure:
Molecular Structure of 6998-83-0 (TRIMETHYL CIS,CIS-1,3,5-CYCLOHEXANETRICARBOXYLATE)
Formula: C12H18O6
Molecular Weight: 258.271
Synonyms: 1,3,5-Cyclohexanetricarboxylicacid, trimethyl ester, (1α,3α,5α)-(9CI);1,3,5-Cyclohexanetricarboxylic acid,trimethyl ester, cis-(8CI);Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate;
Density: 1.178 g/cm3
Melting Point: 46-49 °C(lit.)
Boiling Point: 332.848 °C at 760 mmHg
Flash Point: 144.074 °C
Appearance: solid
PSA: 78.90000
LogP: 0.53790
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Specification

This chemical is called 1,3,5-Cyclohexanetricarboxylic acid, 1,3,5-trimethyl ester, (1α,3α,5α)-, and its systematic name is trimethyl (1s,3s,5s)-cyclohexane-1,3,5-tricarboxylate. With the molecular formula of C12H18O6, its product categories are C12 to C63; Carbonyl Compounds; Esters. The CAS registry number of this chemical is 6998-83-0. Additionally, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the 1,3,5-Cyclohexanetricarboxylic acid, 1,3,5-trimethyl ester, (1α,3α,5α)- can be summarised as followings: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 68; (8)ACD/KOC (pH 7.4): 68; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 78.9 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 60.522 cm3; (15)Molar Volume: 219.291 cm3; (16)Polarizability: 23.993×10-24cm3; (17)Surface Tension: 40.012 dyne/cm; (18)Density: 1.178 g/cm3; (19)Flash Point: 144.074 °C; (20)Enthalpy of Vaporization: 57.565 kJ/mol; (21)Boiling Point: 332.848 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC)[C@H]1C[C@H](C[C@H](C1)C(=O)OC)C(=O)OC
2.InChI: InChI=1/C12H18O6/c1-16-10(13)7-4-8(11(14)17-2)6-9(5-7)12(15)18-3/h7-9H,4-6H2,1-3H3/t7-,8+,9-
3.InChIKey: ZZNOMLSSCRBRJS-AYMMMOKOBS