(2H3)oxiran-2-yl(2H2)methanol

• ChemBase ID: 169740
• Molecular Formular: C3H6O2
• Molecular Mass: 74.07854
• Monoisotopic Mass: 74.03677943
• SMILES: C1C(O1)CO
• Canonical SMILES: OCC1CO1
• InChI: InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
• InChIKey: CTKINSOISVBQLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)oxiran-2-yl(^2H₂)methanol
• IUPAC Traditional name: (^2H₃)oxiran-2-yl(^2H₂)methanol
• Synonyms: 2-Oxiranemethanol-d5; 2,3-Epoxy-1-propanol-d5; Oxiranemethanol-d5; (RS)-Glycidol-d5; (+/-)-2,3-Epoxy-1-propanol-d5; (+/-)-Glycidol-d5; 1-Hydroxy-2,3-epoxypropane-d5; 2-(Hydroxymethyl)oxirane-d5; Epihydrin-d5 Alcohol; Epiol OH-d5; Glycide-d5; Glycidyl-d5 Alcohol; NSC 46096-d5; Oxiran-2-ylmethanol-d5; Oxiranylmethanol-d5; Racemic Glycidol-d5; dl-Glycidol-d5; Glycidol-d5

Database IDs

• PubChem SID: 162263872
• PubChem CID: 71317136

CALCULATED PROPERTIES

• Acid pKa: 14.602878
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.67731047
• LogD (pH = 7.4): -0.67731047
• Log P: -0.67731047
• Molar Refractivity: 17.006 cm^3
• Polarizability: 6.8989635 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Clear Colourless Oil

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - G615702

Labelled Glycidol. Stabilizer in manufacturing of vinyl polymers; intermediate in synthesis of glycerol, glycidyl ethers, and amines; additive for oil and synthetic hydraulic fluids; epoxy resin diluent.

REFERENCES

• Hiles, R.A., et al.: Food Cosmet. Toxicol., 19, 347 (1981)
• Thompson, E.D., et al.: Food Chem. Toxicol., 22, 665 (1981)