CAS No.220498-07-7,(R)-2-Cyclohexyl succinic acid-1-methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	220498-07-7
Name:	(R)-2-Cyclohexyl succinic acid-1-methyl ester
Article Data:	4

Formula:	C₁₁H₁₈O₄
Molecular Weight:	214.262
Synonyms:	Butanedioicacid, cyclohexyl-, 1-methyl ester, (2R)- (9CI);(R)-2-Cyclohexyl succinic acid-1-methyl ester;(3R)-3-cyclohexyl-4-methoxy-4-oxobutanoate;
Density:	1.1328 (rough estimate)
Melting Point:	46.1 °C
Boiling Point:	346.5 °C at 760 mmHg
Flash Point:	130.7 °C
Appearance:	pale yellow needle-like crystals
Safety:	24/25
PSA:	63.60000
LogP:	1.83060

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Specification

The IUPAC name of (R)-2-Cyclohexyl succinic acid-1-methyl ester is (3R)-3-cyclohexyl-4-methoxy-4-oxobutanoate. With the CAS registry number 220498-07-7, it is also named as Butanedioic acid,2-cyclohexyl-, 1-methyl ester, (2R)-. Besides, it is pale yellow needle-like crystals, which should be stored in closed, cool and dry place at 4 °C. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₁₁H₁₈O₄ and molecular weight is 214.26.

The other characteristics of (R)-2-Cyclohexyl succinic acid-1-methyl ester can be summarized as: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 2.14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.6 Å²; (13)Flash Point: 130.7 °C; (14)Melting Point: 46.1 °C; (15)Enthalpy of Vaporization: 64.91 kJ/mol; (16)Boiling Point: 346.5 °C at 760 mmHg; (17)Vapour Pressure: 1.01E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC)[C@H](CC([O-])=O)C1CCCCC1
(2)InChI: InChI=1/C11H18O4/c1-15-11(14)9(7-10(12)13)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,12,13)/p-1/t9-/m1/s1
(3)InChIKey: IYCUSOGFMJGUSU-AOIUGUGYBA