(2H5)propane-1,2,3-triol

• ChemBase ID: 135732
• Molecular Formular: C3H8O3
• Molecular Mass: 92.09382
• Monoisotopic Mass: 92.04734412
• SMILES: C(C(CO)O)O
• Canonical SMILES: OCC(CO)O
• InChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
• InChIKey: PEDCQBHIVMGVHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)propane-1,2,3-triol
• IUPAC Traditional name: (^2H₅)propane-1,2,3-triol
• Synonyms: Glycerol-1,1,2,3,3-d5; 1,2,3-Propanetriol-d5; 1,3-Dihydroxy-2-propanol-d5; Propanetriol-d5; 1,2,3-Propane-1,1,2,3,3-d5-triol; 1,2,3-Trihydroxypropane-d5; Bulbold-d5; Cognis G-d5; Cristal-d5; DG Glycerin-d5; E 422-d5; Emery 916-d5; Glycerin-d5; Glycerin DG-d5; Glycerine-d5; Glyceritol-d5; Glycyl Alcohol-d5; Glyrol-d5; Glysanin-d5; M 314429-d5; Mackstat H 66-d5; NSC 9230-d5; Osmoglyn-d5; Pricerine 9088-d5; RG-d5; Trihydroxypropane-d5; Glycerol-d5; 甘油-1,1,2,3,3-d5

Database IDs

• CAS Number: 62502-71-0
• MDL Number: MFCD00084148
• PubChem SID: 162230005; 24868929
• PubChem CID: 11768502

CALCULATED PROPERTIES

• Log P: -1.839014
• Molar Refractivity: 20.5161 cm^3
• Polarizability: 8.232059 Å^3
• Polar Surface Area: 60.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.605499
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.839014
• LogD (pH = 7.4): -1.8390143

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Colorless Viscous Oil
• Melting Point: 20 °C(lit.)
• Boiling Point: 182 °C(lit.)
• Flash Point: 160 °C; 320 °F
• Density: 1.331 g/mL at 25 °C
• Refractive Index: n20/D 1.472(lit.)
• Mass Shift: M+5

Safety Information

• Storage Condition: Refrigerator
• German water hazard class: 1

Product Information

• Isotopic Purity: 98 atom % D
• Suitability: S & P tested
• Mol. Weight: mol wt 97.12 by atom % calculation
• Linear Formula: (HOCD2)2CDOH

DETAILS

Sigma Aldrich - 661473

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 454524

Packaging
1, 5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - G598402

Labelled Glycerol (G598400). Glycerol is used both in sample preparation and gel formation for polyacrylamide gel electrophoresis. Glycerol (5-10%) increases the density of a sample so that the sample will layer at the bottom of a gel’s sample well. Glyce

REFERENCES

• Bartsch, W., et al.: Arzeim.-Forsch., 26, 1581 (1976)