(2S)-2-(benzyloxy)propan-1-ol

• ChemBase ID: 125062
• Molecular Formular: C10H14O2
• Molecular Mass: 166.21696
• Monoisotopic Mass: 166.09937969
• SMILES: O([C@@H](C)CO)Cc1ccccc1
• Canonical SMILES: OC[C@@H](OCc1ccccc1)C
• InChI: InChI=1S/C10H14O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1
• InChIKey: BWCRDMRLKBPUTD-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(benzyloxy)propan-1-ol
• IUPAC Traditional name: (2S)-2-(benzyloxy)propan-1-ol
• Synonyms: (2S)-2-(Phenylmethoxy)-1-propanol; (+)-2-(Benzyloxy)-1-propanol; (S)-(+)-2-(Benzyloxy)propan-1-ol; (S)-2-(Benzyloxy)propan-1-ol; (S)-2-Benzyloxy-1-propanol; S-2-O-苄基-1-丙醇

Database IDs

• CAS Number: 33106-64-8
• PubChem SID: 162219412
• PubChem CID: 11116416

CALCULATED PROPERTIES

• Acid pKa: 14.685602
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5754956
• LogD (pH = 7.4): 1.5754956
• Log P: 1.5754956
• Molar Refractivity: 48.3362 cm^3
• Polarizability: 19.000443 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO; Ethyl Acetate
• Apperance: Colourless Oil; 浅黄色液体
• Optical Rotation: +47.3°(c = 1, chloroform)

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Purity: 98%

DETAILS

Toronto Research Chemicals - B287723

An optically active alcohol used in stereoselective synthesis.