trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester supplier

Name
TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER
EINECS 210-614-2
CAS No. 15177-67-0
Article Data18
CAS DataBase
Density 1.191 g/cm³
Solubility
Melting Point 126.0 to 130.0 °C
Formula C₉H₁₄O₄
Boiling Point 303.145 °C at 760 mmHg
Molecular Weight 186.208
Flash Point 118.334 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:;
Synonyms 1,4-Cyclohexanedicarboxylicacid, monomethyl ester, trans- (8CI,9CI);1,4-trans-Cyclohexanedicarboxylic acidmonomethyl ester;Monomethyl trans-1,4-cyclohexanedicarboxylate;Monomethyltrans-cyclohexane-1,4-dicarboxylate;trans-1,4-Cyclohexanedicarboxylic acidmonomethyl ester;trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid;trans-4-Carbomethoxycyclohexane-1-carboxylic acid;
PSA 63.60000
LogP 1.05040

trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester Specification

The trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester, with the CAS registry number 15177-67-0, has the systematic name of trans-4-(methoxycarbonyl)cyclohexanecarboxylic acid. And the molecular formula of the chemical is C₉H₁₄O₄.

The characteristics of trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.6 Å²; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 44.728 cm³; (15)Molar Volume: 156.315 cm³; (16)Polarizability: 17.732×10^-24cm³; (17)Surface Tension: 44.849 dyne/cm; (18)Density: 1.191 g/cm³; (19)Flash Point: 118.334 °C; (20)Enthalpy of Vaporization: 59.77 kJ/mol; (21)Boiling Point: 303.145 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@H]1CC[C@@H](CC1)C(=O)OC
(2)InChI: InChI=1/C9H14O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7-
(3)InChIKey: ZQJNPHCQABYENK-LJGSYFOKBK

Product Name

TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER

trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester Specification

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