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Basic Information
CAS No.: 87720-90-9
Name: (R)-(+)-1,2-OCTANEDIOL
Article Data: 53
Molecular Structure:
Molecular Structure of 87720-90-9 ((R)-(+)-1,2-OCTANEDIOL)
Formula: C8H18O2
Molecular Weight: 146.23
Synonyms: (2R)-Octane-1,2-diol;(R)-(+)-1,2-Octanediol;
Density: 0.937 g/cm3
Melting Point: 44 - 45 °C (chloroform)
Boiling Point: 243 °C at 760 mmHg
Flash Point: 109.1 °C
PSA: 40.46000
LogP: 1.31000
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Specification

The 1,2-Octanediol,(2R)-, with the CAS registry number 87720-90-9, is also known as (R)-(+)-1,2-Octanediol. It belongs to the product categories of Chiral Building Blocks; Organic Building Blocks; Polyols. This chemical's molecular formula is C8H18O2 and molecular weight is 146.23. What's more, its systematic name is (2R)-Octane-1,2-diol.

Physical properties of 1,2-Octanediol,(2R)- are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.452; (8)Molar Refractivity: 42.14 cm3; (9)Molar Volume: 155.9 cm3; (10)Polarizability: 16.7×10-24 cm3; (11)Surface Tension: 35.7 dyne/cm; (12)Density: 0.937 g/cm3; (13)Flash Point: 109.1 °C; (14)Enthalpy of Vaporization: 55.78 kJ/mol; (15)Boiling Point: 243 °C at 760 mmHg; (16)Vapour Pressure: 0.00559 mmHg at 25 °C.

Preparation: this chemical can be prepared by (R)-1-methoxy-2-octanol with heating. This reaction will need reagents NaI, chlorotrimethylsilane and solvent acetonitrile with the reaction time of 8 hours. The yield is about 80%.

Preparation of 1,2-Octanediol,(2R)- can be prepared by (R)-1-methoxy-2-octanol with heating.

Uses of 1,2-Octanediol,(2R)-: it can be used to produce (R)-(+)-2-hydroxyoctyl tosylate. It will need solvent pyridine. The yield is about 56%.

Uses of 1,2-Octanediol,(2R)- can be used to produce (R)-(+)-2-hydroxyoctyl tosylate.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](CCCCCC)CO
(2)InChI: InChI=1/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1
(3)InChIKey: AEIJTFQOBWATKX-MRVPVSSYBQ