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Merck
CN

726672

(S)-(+)-2-Butanol

ChiPros®, produced by BASF, 99%

Synonym(s):

(S)-(+)-sec-Butyl alcohol

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About This Item

Linear Formula:
C2H5CH(OH)CH3
CAS Number:
4221-99-2
Molecular Weight:
74.12
EC Number:
224-168-1
UNSPSC Code:
12352001
PubChem Substance ID:
329764256
Beilstein/REAXYS Number:
1718763
MDL number:
MFCD00064281
Assay:
≥98.5%, 99%
Form:
liquid

Key Documents

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InChI key

BTANRVKWQNVYAZ-BYPYZUCNSA-N

InChI

1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1

SMILES string

CC[C@H](C)O

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 %

bp

99-100 °C (lit.)

density

0.803 g/mL at 25 °C (lit.)

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Legal Information

ChiPros is a registered trademark of BASF SE

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3

target_organs

Central nervous system, Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

75.2 °F - closed cup

flash_point_c

24 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBJ4180V
BCBC4053V
BCBC4053

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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
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
Patrycja Seroka et al.
Magnetic resonance in chemistry : MRC, 44(2), 132-138 (2005-12-17)
D-Glucose, D-mannose and L-rhamnose were reacted with a racemic mixture of 2-butanol, and the resulting alpha-glycosides were analyzed by 1H NMR with COSY and NOESY experiments. Conformational analysis of alpha-glycosidic bonds performed with molecular modeling and appropriate heteronuclear long-range coupling
J C Sullivan et al.
Journal of chromatographic science, 48(4), 289-293 (2010-04-24)
A simple, rapid, and reliable method to detect residual levels of tert-butanol in liposomes using sec-butanol as an internal standard has been developed. Solid-phase microextraction (SPME) followed by gas chromatographic analysis was used to quantify the amount of residual tert-butanol
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ChiPros Chiral Alcohols

Chiral alcohols form a versatile class of chiral synthons, since they can be incorporated into the API structures directly as esters or ethers.

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