(2R)-decan-2-ol

• ChemBase ID: 74422
• Molecular Formular: C10H22O
• Molecular Mass: 158.28108
• Monoisotopic Mass: 158.16706532
• SMILES: O[C@H](C)CCCCCCCC
• Canonical SMILES: CCCCCCCC[C@H](O)C
• InChI: InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3/t10-/m1/s1
• InChIKey: ACUZDYFTRHEKOS-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-decan-2-ol
• IUPAC Traditional name: (2R)-decan-2-ol
• Synonyms: (R)-(-)-2-Decanol; (R)-2-Decanol; (R)-(-)-2-癸醇

Database IDs

• CAS Number: 33758-15-5
• MDL Number: MFCD03427199
• PubChem SID: 24879711; 162039341
• PubChem CID: 2737541

CALCULATED PROPERTIES

• Acid pKa: 17.683062
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4447403
• LogD (pH = 7.4): 3.4447403
• Log P: 3.4447403
• Molar Refractivity: 49.5587 cm^3
• Polarizability: 19.78336 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 211 °C(lit.)
• Flash Point: 185 °F; 85 °C
• Density: 0.827 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4340(lit.)
• Optical Rotation: [α]20/D -8.0°, c = 1% in chloroform

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 97%
• Optical Purity: 97% (ee) (HPLC)
• Linear Formula: CH3(CH2)7CH(OH)CH3

DETAILS

Sigma Aldrich - 557986

Packaging
1, 5 g in glass bottle