(R)-2-Pentanol - CAS 31087-44-2
Catalog: |
BB020794 |
Product Name: |
(R)-2-Pentanol |
CAS: |
31087-44-2 |
Synonyms: |
2-Pentanol, (2R)-; (2R)-2-Pentanol; 2-Pentanol, (-)-; 2-Pentanol, (R)-; (-)-2-Pentanol; (2R)-Pentanol; (R)-1-Methylbutyl alcohol; l-sec-Amyl alcohol |
Related CAS: | 113301-51-2 (Deleted CAS) 26184-62-3 (2S-isomer)
|
IUPAC Name: | (2R)-pentan-2-ol |
Description: | (R)-2-Pentanol (CAS# 31087-44-2) is a chiral building block used in the synthesis of banana volatile (S)-2-pentyl (R)-3-hydroxyhexanoate. |
Molecular Weight: | 88.15 |
Molecular Formula: | C5H12O |
Canonical SMILES: | CCCC(C)O |
InChI: | InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1 |
InChI Key: | JYVLIDXNZAXMDK-RXMQYKEDSA-N |
Boiling Point: | 117-119°C |
Melting Point: | 75°C |
Flash Point: | 34 °C(lit.) |
Purity: | ≥95% |
Density: | 0.809±0.06 g/cm3 |
Appearance: | Colorless to Almost Colorless Clear Liquid |
Storage: | Store at RT |
MDL: | MFCD00065953 |
LogP: | 1.16730 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020160710-A1 | Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist | 20190207 |
TW-202045507-A | Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as tlr7 agonist | 20190207 |
CN-113423708-A | Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists | 20190207 |
CN-109799230-B | Rapid detection device and detection method for metal complex and chiral isomer | 20190130 |
CN-109705848-B | One-dimensional organic semiconductor nanocoil and preparation method and application thereof | 20190117 |
PMID | Publication Date | Title | Journal |
21744144 | 20111101 | The substrate binding cavity of particulate methane monooxygenase from Methylosinus trichosporium OB3b expresses high enantioselectivity for n-butane and n-pentane oxidation to 2-alcohol | Biotechnology letters |
15472957 | 20041001 | Separation of enantiomers in microemulsion electrokinetic chromatography using chiral alcohols as cosurfactants | Electrophoresis |
15157110 | 20040601 | The stereoselectivity and catalytic properties of Xanthobacter autotrophicus 2-[(R)-2-Hydroxypropylthio]ethanesulfonate dehydrogenase are controlled by interactions between C-terminal arginine residues and the sulfonate of coenzyme M | Biochemistry |
11851420 | 20020226 | Characterization of the 2-[(R)-2-hydroxypropylthio]ethanesulfonate dehydrogenase from Xanthobacter strain Py2: product inhibition, pH dependence of kinetic parameters, site-directed mutagenesis, rapid equilibrium inhibition, and chemical modification | Biochemistry |
Complexity: | 27.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 88.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 88.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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