butane-1,2,3,4-tetrol

• ChemBase ID: 102431
• Molecular Formular: C4H10O4
• Molecular Mass: 122.1198
• Monoisotopic Mass: 122.0579088
• SMILES: OCC(O)C(O)CO
• Canonical SMILES: OCC(C(CO)O)O
• InChI: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
• InChIKey: UNXHWFMMPAWVPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butane-1,2,3,4-tetrol
• IUPAC Traditional name: 1,2,3,4-butanetetrol; erythrite
• Synonyms: meso-Erythritol; 1,2,3,4-Butanetetrol; meso-1,2,3,4-Tetrahydroxybutane; i-ERYTHRITOL; DL-1,2,3,4-Butanetetrol; DL-THREITOL; MESO-ERYTHRITOL; meso-Erythritol; 内消旋-赤藓醇

Database IDs

• CAS Number: 6968-16-7; 149-32-6
• EC Number: 205-737-3
• MDL Number: MFCD00004710
• Beilstein Number: 1719753
• Merck Index: 143675
• PubChem SID: 162088437
• PubChem CID: 8998

CALCULATED PROPERTIES

• Acid pKa: 13.044993
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.469349
• LogD (pH = 7.4): -2.4693499
• Log P: -2.469349
• Molar Refractivity: 26.4786 cm^3
• Polarizability: 10.746415 Å^3
• Polar Surface Area: 80.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-124°C; 120-123°C
• Boiling Point: 329-331°C; 329-331°C

Safety Information

• Storage Condition: 0°C
• RTECS: KF2000000
• TSCA Listed: 是

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05214676

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101651

Crystalline
Recrystallized twice from water-ethanol.

MP Biomedicals - 02152136

Crystalline
Purity: 99%