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Home >> Chemical Listing >> B >> (2R,3R)-Rel-1,2,3,4-Butanetetrol

(2R,3R)-Rel-1,2,3,4-Butanetetrol
[CAS# 6968-16-7]

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Identification
Name (2R,3R)-Rel-1,2,3,4-Butanetetrol
Synonyms Nsc20660; C00503
Molecular Structure CAS#: 6968-16-7， (2R,3R)-Rel-1,2,3,4-Butanetetrol
Molecular Formula C4H10O4
Molecular Weight 122.12
CAS Registry Number 6968-16-7
EINECS 231-418-3
SMILES C(O)C(O)C(O)CO
InChI 1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
InChIKey UNXHWFMMPAWVPI-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Melting point 119-124°C (Expl.)
Boiling point 329.999°C at 760 mmHg (Cal.)
329-331°C (Expl.)
Flash point 208.7±21.1°C (Cal.)
Safety Data
Safety Description WARNING: Irritates lungs, eyes, skin
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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