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(S) - (-) -2-Methylbutanol

CAT: 0804-HY-W093104-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W093104-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) - (-) -2-Methylbutanol is a S-isomer of 2-Methylbutanol[1].
CAS Number
1565-80-6
Product Name Alternative
(S) -2-Methyl-1-butanol
UNSPSC
12352211
Hazard Statement
H226, H332, H335
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/s-minus-2-methylbutanol.html
Purity
99.97
Smiles
CC[C@H](C)CO
Molecular Formula
C5H12O
Molecular Weight
88.15
Precautions
H226, H332, H335
References & Citations
[1]Jonathan A Dennis, et al. Biocompatible α-Methylenation of Metabolic Butyraldehyde in Living Bacteria. Angew Chem Int Ed Engl. 2023 Sep 18;62 (38) :e202306347.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-2-methyl-1-butanol

(S)-2-methylbutan-1-ol is the (S)-enantiomer of 2-methylbutan-1-ol. It is an enantiomer of a (R)-2-methylbutan-1-ol.

CAS Number1565-80-6
PubChem CID2723602
IUPAC Name(2S)-2-methylbutan-1-ol
Molecular FormulaC5H12O
Molecular Weight88.15
XLogP1.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity27
SMILES
CC[C@H](C)CO
InChI
InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKey
QPRQEDXDYOZYLA-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-methyl-1-butanol
CAS: 1565-80-6
CID: 2723602
Formula: C5H12O
MW: 88.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight88.15
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass88.088815002
Monoisotopic Mass88.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity27.1
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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