(S)-(+)-4-Methyl-2-pentanol - CAS 14898-80-7
Catalog: |
BB050213 |
Product Name: |
(S)-(+)-4-Methyl-2-pentanol |
CAS: |
14898-80-7 |
Synonyms: |
(S)-4-Methylpentan-2-ol; (S)-4-Methyl-2-pentanol; 2-Pentanol, 4-methyl-, (2S)-; (2S)-4-Methyl-2-pentanol; 2-Pentanol, 4-methyl-, (S)-; (+)-4-Methyl-2-pentanol; (+)-Methyl isobutyl carbinol; (S)-4-Methylpentan-2-ol |
Related CAS: | 16404-54-9 (2R-isomer)
|
IUPAC Name: | (2S)-4-methylpentan-2-ol |
Description: | (S)-(+)-4-Methyl-2-pentanol, a vital chiral building block, plays a crucial role in the chemical synthesis of pharmaceuticals and agrochemicals. Its versatile nature allows for the creation of intricate chiral auxiliaries and ligands essential for achieving exceptional levels of asymmetry in catalytic processes. |
Molecular Weight: | 102.17 |
Molecular Formula: | C6H14O |
Canonical SMILES: | CC(C)CC(C)O |
InChI: | InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m0/s1 |
InChI Key: | WVYWICLMDOOCFB-LURJTMIESA-N |
Boiling Point: | 130-131°C at 745 Torr |
Purity: | ≥95% |
Density: | 0.811±0.06 g/cm3 |
Solubility: | Soluble in Alcohol, Water (Slightly) |
Appearance: | Clear Colorless Liquid |
Storage: | Store at 2-8°C |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H332 (86.36%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Complexity: | 41.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.104465066 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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