726672
(S)-(+)-2-丁醇
ChiPros®, produced by BASF, 99%
别名:
(S)-(+)-仲丁基醇
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关于此项目
线性分子式:
C2H5CH(OH)CH3
化学文摘社编号:
分子量:
74.12
EC Number:
224-168-1
UNSPSC Code:
12352001
PubChem Substance ID:
Beilstein/REAXYS Number:
1718763
MDL number:
Assay:
≥98.5%, 99%
Form:
liquid
vapor density
2.6 (vs air)
vapor pressure
12.5 mmHg ( 20 °C)
assay
≥98.5%, 99%
form
liquid
optical purity
enantiomeric excess: ≥98.5%
expl. lim.
9.8 %
refractive index
n20/D 1.397 (lit.)
bp
99-100 °C (lit.)
density
0.803 g/mL at 25 °C (lit.)
SMILES string
CC[C@H](C)O
InChI
1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1
InChI key
BTANRVKWQNVYAZ-BYPYZUCNSA-N
Legal Information
ChiPros is a registered trademark of BASF SE
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3
target_organs
Central nervous system, Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 1
flash_point_f
75.2 °F - closed cup
flash_point_c
24 °C - closed cup
法规信息
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Chiral alcohols form a versatile class of chiral synthons, since they can be incorporated into the API structures directly as esters or ethers.
Xiaofeng Hu et al.
The journal of physical chemistry. A, 115(23), 5785-5793 (2011-01-26)
The adsorption, thermal evolution, and electron irradiation of 2-butanol on Pt(111) were investigated with reflection absorption infrared spectroscopy (RAIRS). A simulated vibrational spectrum of a single 2-butanol molecule was calculated using density functional theory to facilitate vibrational assignments. Exposures of
Prabha Dwivedi et al.
Analytical chemistry, 78(24), 8200-8206 (2006-12-15)
This article introduces the concept of chiral ion mobility spectrometry (CIMS) and presents examples demonstrating the gas-phase separation of enantiomers of a wide range of racemates including pharmaceuticals, amino acids, and carbohydrates. CIMS is similar to traditional ion mobility spectrometry
Kari V Ahonen et al.
Steroids, 77(11), 1141-1151 (2012-07-21)
Synthesis and solid-state structural characterization of five bile acid amides of 4-aminopyridine (4-AP) are reported. Systematic crystallization experiments revealed a number of structural modifications and/or solvate/hydrate systems for these conjugates. Particularly, cholic acid conjugate exhibited five distinct structure modifications, including