1,2-Cyclohexanedicarboxylicacid, 1,2-diethyl ester, (1R,2S)-rel- supplier

Name
(1S,2R)-Cyclohexane-1,2-dicarboxylic acid diethyl ester
EINECS
CAS No. 17351-07-4
Article Data5
CAS DataBase
Density 1.063 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₀O₄
Boiling Point 294.2 °C at 760 mmHg
Molecular Weight 228.288
Flash Point 137.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Cyclohexanedicarboxylicacid, diethyl ester, (1R,2S)-rel- (9CI);1,2-Cyclohexanedicarboxylic acid,diethyl ester, cis- (8CI);Diethyl cis-1,2-cyclohexanedicarboxylate;diethyl cyclohexane-1,2-dicarboxylate;1,2-cyclohexanedicarboxylic acid, diethyl ester;Diethyl cyclohexane-1,2-dicarboxylate;
PSA 52.60000
LogP 1.91900

1,2-Cyclohexanedicarboxylicacid, 1,2-diethyl ester, (1R,2S)-rel- Specification

The 1,2-Cyclohexanedicarboxylicacid, 1,2-diethyl ester, (1R,2S)-rel-, with the CAS registry number 17351-07-4, has the systematic name of diethyl cyclohexane-1,2-dicarboxylate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₂H₂₀O₄.

The characteristics of 1,2-Cyclohexanedicarboxylicacid, 1,2-diethyl ester, (1R,2S)-rel- are as followings: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 58.16; (6)ACD/BCF (pH 7.4): 58.16; (7)ACD/KOC (pH 5.5): 637.86; (8)ACD/KOC (pH 7.4): 637.86; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 58.83 cm³; (15)Molar Volume: 214.6 cm³; (16)Polarizability: 23.32×10^-24cm³; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 1.063 g/cm³; (19)Flash Point: 137.8 °C; (20)Enthalpy of Vaporization: 53.39 kJ/mol; (21)Boiling Point: 294.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00164 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)C1C(C(=O)OCC)CCCC1
(2)InChI: InChI=1/C12H20O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
(3)InChIKey: ZTUZDYWYNQDJKR-UHFFFAOYAZ

Product Name

(1S,2R)-Cyclohexane-1,2-dicarboxylic acid diethyl ester

1,2-Cyclohexanedicarboxylicacid, 1,2-diethyl ester, (1R,2S)-rel- Specification

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