237620
(S)-(+)-1,3-Butanediol
98%
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About This Item
Linear Formula:
CH3CH(OH)CH2CH2OH
CAS Number:
Molecular Weight:
90.12
EC Number:
246-363-0
UNSPSC Code:
12352001
PubChem Substance ID:
Beilstein/REAXYS Number:
1718943
MDL number:
Assay:
98%
assay
98%
InChI key
PUPZLCDOIYMWBV-BYPYZUCNSA-N
InChI
1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
SMILES string
C[C@H](O)CCO
vapor density
3.1 (vs air)
vapor pressure
0.06 mmHg ( 20 °C)
optical activity
[α]20/D +30°, c = 1 in ethanol
optical purity
ee: 96% (GLC)
autoignition temp.
741 °F
bp
109 °C/14 mmHg (lit.)
density
1.005 g/mL at 25 °C (lit.)
Application
Chiral starting material.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
249.8 °F - closed cup
flash_point_c
121 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Mário T S Rosado et al.
The journal of physical chemistry. A, 113(26), 7499-7507 (2009-04-25)
The complete conformational space of monomeric 1,3-butanediol has been characterized theoretically, and 73 unique stable conformers were found at the MP2/6-311++G(d,p) level. These were classified into nine families whose members share the same heavy atom backbone configurations and differ in
Su Jeong Kim et al.
Nucleosides, nucleotides & nucleic acids, 22(11), 2003-2011 (2003-12-19)
Two optically active phosphoramidite monomers for modified oligodeoxyribonucleotides were prepared. These monomers were then introduced into dodecanucleotides in the middle of the sequences. The modified dodecanucleotides were characterized by various analytical methods including MALDI-TOF mass spectrometry and Tm values were
Tamara Kujawska et al.
Ultrasonics, 51(8), 997-1005 (2011-07-05)
This work addresses the difficulties in the measurements of the nonlinear medium parameter B/A and presents a modification of the finite amplitude method (FAM), one of the accepted procedures to determine this parameter. The modification is based on iterative, hybrid
Q Wu et al.
Guang pu xue yu guang pu fen xi = Guang pu, 20(5), 612-613 (2003-08-30)
In the present paper, we studied the surface structure effect of Pt electrode modified with antimony and sulfur adatoms towards 1,3-Butanediol oxidation. The results demonstrated that the modification of Sb and S both inhibited the dissociative adsorption of 1,3-Butanediol into
Biagio Velino et al.
The journal of physical chemistry. A, 115(34), 9585-9589 (2011-03-23)
The rotational spectra of five conformers of 1,3-butandiol have been measured by pulsed jet Fourier transform microwave spectroscopy. All of them are stabilized by an internal hydrogen bond and all of them have a GG' or a G'G arrangement of
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