CAS No.53585-93-6,(R)-(-)-Hexahydromandelic acid Suppliers,MSDS download

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Molecular Structure:
CAS No.:	53585-93-6
Name:	(R)-(-)-Hexahydromandelic acid
Article Data:	26

Formula:	C₈H₁₄O₃
Molecular Weight:	158.197
Synonyms:	2-Cyclohexylglycolic acid;
Density:	1.178 g/cm³
Melting Point:	127-129 °C
Boiling Point:	319.3 °C at 760 mmHg
Flash Point:	161.1 °C
Safety:	22-24/25
PSA:	57.53000
LogP:	1.01220

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Specification

The (R)-(-)-Hexahydromandelic acid, with the CAS registry number of 53585-93-6, is also known as 2-Cyclohexylglycolic acid. This chemical's molecular formula is C₈H₁₄O₃ and molecular weight is 158.19. What's more, its IUPAC name is (2R)-2-Cyclohexyl-2-hydroxyacetic acid and its systematic name is (2R)-Cyclohexyl(hydroxy)ethanoic acid. In addition, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about (R)-(-)-Hexahydromandelic acid are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.09; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 40 cm³; (13)Molar Volume: 134.1 cm³; (14)Polarizability: 15.85×10^-24 cm³; (15)Surface Tension: 49.5 dyne/cm; (16)Density: 1.178 g/cm³; (17)Flash Point: 161.1 °C; (18)Enthalpy of Vaporization: 65.02 kJ/mol; (19)Boiling Point: 319.3 °C at 760 mmHg; (20)Vapour Pressure: 2.8E-05 mmHg at 25 °C.

Preparation of (R)-(-)-Hexahydromandelic acid: this chemical is prepared by 1-Cyclohexyl-2, 2-diiodo-ethanol. The reaction needs reagent aq. NaOH. The reaction time is 2 days with reaction temperature of ambient temperature. The yield is about 65 %.

The (R)-(-)-Hexahydromandelic acid can be obtained by 1-Cyclohexyl-2, 2-diiodo-ethanol.

Uses of (R)-(-)-Hexahydromandelic acid: it is used to produce other chemicals. For example, it is used to produce N-Benzyl-2-cyclohexyl-2-hydroxyacetohydroxamsaeure. This reaction needs reagent DCC. The yield is about 32 %.

(R)-(-)-Hexahydromandelic acid can be used to produce N-Benzyl-2-cyclohexyl-2-hydroxyacetohydroxamsaeure.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H](O)C1CCCCC1
(2) InChI: InChI=1/C8H14O3/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m1/s1
(3) InChIKey: RRDPWAPIJGSANI-SSDOTTSWBM