Diethyl trans-4-cyclohexene-1,2-dicarboxylate supplier

Name
DIETHYL TRANS-4-CYCLOHEXENE-1,2-DICARBOXYLATE
EINECS
CAS No. 5048-50-0
Article Data12
CAS DataBase
Density 1.088 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈O₄
Boiling Point 293.501 °C at 760 mmHg
Molecular Weight 226.273
Flash Point 138.147 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Cyclohexene-1,2-dicarboxylicacid, diethyl ester, (1R,2R)-rel- (9CI);4-Cyclohexene-1,2-dicarboxylic acid,diethyl ester, trans- (8CI);
PSA 52.60000
LogP 1.69500

Diethyl trans-4-cyclohexene-1,2-dicarboxylate Specification

The CAS register number of Diethyl trans-4-cyclohexene-1,2-dicarboxylate is 5048-50-0. It also can be called as 4-cyclohexene-1,2-dicarboxylic acid, diethyl ester, (1S,2S)- and the systematic name about this chemical is diethyl (1S,2S)-cyclohex-4-ene-1,2-dicarboxylate. The molecular formula about this chemical is C₁₂H₁₈O₄ and the molecular weight is 226.27.

Physical properties about Diethyl trans-4-cyclohexene-1,2-dicarboxylate are: (1)ACD/LogP: 4.02; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 40; (5)ACD/BCF (pH 7.4): 40; (6)ACD/KOC (pH 5.5): 485; (7)ACD/KOC (pH 7.4): 485; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 52.6Å²; (11)Index of Refraction: 1.474; (12)Molar Refractivity: 58.441 cm³; (13)Molar Volume: 207.985 cm³; (14)Polarizability: 23.168x10^-24cm³; (15)Surface Tension: 37.787 dyne/cm; (16)Enthalpy of Vaporization: 53.308 kJ/mol; (17)Boiling Point: 293.501 °C at 760 mmHg; (18)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@@H]1[C@@H](C(=O)OCC)C\C=C/C1
(2)InChI: InChI=1/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10-/m0/s1
(3)InChIKey: OWVOHDKOANTMJU-UWVGGRQHBX
(4)Std. InChI: InChI=1S/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10-/m0/s1
(5)Std. InChIKey: OWVOHDKOANTMJU-UWVGGRQHSA-N

Product Name

DIETHYL TRANS-4-CYCLOHEXENE-1,2-DICARBOXYLATE

Diethyl trans-4-cyclohexene-1,2-dicarboxylate Specification

Related Products

Hot Products