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Cas Database |
| Name |
(R)-(-)-2-Pentanol |
EINECS | 256-810-1 |
| CAS No. | 31087-44-2 | Density | 0.809 g/cm3 |
| PSA | 20.23000 | LogP | 1.16730 |
| Solubility | N/A | Melting Point |
-51.44°C (estimate) |
| Formula | C5H12O | Boiling Point | 118.8 °C at 760 mmHg |
| Molecular Weight | 88.1497 | Flash Point | 33.9 °C |
| Transport Information | UN 1105 3/PG 3 | Appearance | Colorless to light yellow liquid |
| Safety | 24/25 | Risk Codes | 10-20 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
(R)-2-Pentanol; |
Article Data | 73 |
(R)-(-)-2-Pentanol Synthetic route
- 107-87-9
2-Pentanone
- 31087-44-2
(R)-2-pentanol
| Conditions | Yield |
|---|---|
| With hydrogen; C19H29B10ClNORh In ethanol at 80℃; under 760.051 Torr; for 1h; | 92% |
| With glucose dehydrogenase; ketoreductase Kred-107; glucose; NADPH for 24h; Enzymatic reaction; optical yield given as %ee; stereoselective reaction; | 89% |
| With Leifsonia sp. S749 cells alcohol dehydrogenase; nicotinamide adenine dinucleotide; isopropyl alcohol In phosphate buffer at 25℃; for 24h; pH=7.0; | 17% |
| Conditions | Yield |
|---|---|
| SADH from Thermoanaerobacter ethanolicus at 37℃; Product distribution; enantiospecificity in enzymatic reaction; var. temp.; | |
| With secondary alcohol dehydrogenase of Thermoanaerobacter ethanolicus,Tris buffer; NADP In isopropyl alcohol at 37℃; for 10h; Rate constant; Product distribution; different coenzymes: effect of the coenzyme on the enantioselectivity of alcohol dehydrogenase; other temp.; | |
| With mercaptoethyl alcohol; Tris-HCl buffer; alcohol dehydrogenase from Thermoanaerobium brockii; NADP; isopropyl alcohol In water at 22℃; for 5h; Mechanism; various buffers; effect of pH, reaction time, temperature, concentration of substrate and of 2-propanol; also with growing cells; also with enzyme immobilized on different supports: effect of contact time and of concentration of NADP; |
- 31087-44-2
(R)-2-pentanol
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 50℃; for 0.5h; |
| Conditions | Yield |
|---|---|
| With lyophilized cells of Rhodococcus ruber DSM 44541; acetone In phosphate buffer at 24℃; for 24h; pH=8.0; Enzyme kinetics; | |
| With lyophilized cells of Rhodococcus ruber DSM 44541; acetone In phosphate buffer at 24℃; for 24h; pH=8.0; Title compound not separated from byproducts.; | |
| Stage #1: (+/-)-2-pentanol With potassium bromide In water at 25℃; for 0.166667h; Resolution of racemate; Stage #2: With [bis(acetoxy)iodo]benzene In water at 25℃; for 2h; enantioselective reaction; | A n/a B n/a |
| With wild type flavoprotein alcohol oxidase from Phanerochaete chrysosporium In aq. phosphate buffer at 35℃; for 24h; pH=7.5; Kinetics; enantioselective reaction; | A n/a B n/a |
- 108-05-4
vinyl acetate
- 6032-29-7
(+/-)-2-pentanol
A
- 26184-62-3
(S)-2-pentanol
B
- 31087-44-2
(R)-2-pentanol
C
- 54638-10-7
(R)-pentan-2-yl acetate
| Conditions | Yield |
|---|---|
| With Escherichia coli BioH In hexane at 35℃; for 28h; Resolution of racemate; optical yield given as %ee; enantioselective reaction; | |
| With immobilized LipG9 In hexane at 35℃; for 24h; Solvent; Temperature; Resolution of racemate; Enzymatic reaction; | A n/a B n/a C n/a D n/a |
- 39180-02-4, 102245-25-0, 102339-78-6
(R)-benzoic acid 1-methylbutyl ester
- 31087-44-2
(R)-2-pentanol
| Conditions | Yield |
|---|---|
| With potassium hydroxide In tetrahydrofuran; methanol; water at 25℃; for 2h; | 93.5% |
- 31087-44-2
(R)-2-pentanol
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 41 - 75℃; for 17.5h; Temperature; |
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 41 - 75℃; for 17.5h; |
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase B wild-type (WT); water In aq. phosphate buffer; acetonitrile at 37℃; for 5h; pH=7.5; Reagent/catalyst; Resolution of racemate; enantioselective reaction; | A 40% B n/a |
| With phosphate buffer; immobilized lipase PS In methanol at 30℃; pH=7.0; | |
| With Candida antarctica lipase B immobilized on acrylic resin catalyst at 20 - 25℃; for 8h; pH=7.4; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee; enantioselective reaction; |
| Conditions | Yield |
|---|---|
| With water; sodium hydrogencarbonate at 37℃; pH=8 - 8.5; Reagent/catalyst; Time; Green chemistry; Enzymatic reaction; |
(R)-(-)-2-Pentanol Chemical Properties
Molecular Formula: C5H12O
Molar mass: 88.1482 g/mol
Density: 0.809 g/cm3
Flash Point: 33.9 °C
Index of Refraction: 1.405
Boiling Point: 118.8 °C at 760 mmHg
Vapour Pressure: 8.05 mmHg at 25 °C
Appearance: Colorless to light yellow liqui
Product categories of (R)-(-)-1-Phenyl-1,2-ethanediol (CAS NO.31087-44-2): Chiral Compounds;Alcohols, Hydroxy Esters and Derivatives;chiral;API intermediates;Chiral Building Blocks;Chiral Compounds;Functional Materials;Synthetic Organic Chemistry;Simple Alcohols (Chiral);Alcohols;Organic Building Blocks
Structure of (R)-(-)-1-Phenyl-1,2-ethanediol (CAS NO.31087-44-2):
XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 1
IUPAC Name: Pentan-2-ol
Canonical SMILES: CCCC(C)O
InChI: InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
InChIKey: JYVLIDXNZAXMDK-UHFFFAOYSA-N
(R)-(-)-2-Pentanol Safety Profile
Hazard Codes of (R)-(-)-1-Phenyl-1,2-ethanediol (CAS NO.31087-44-2): 
Xn
Risk Statements: 10-20
R10:Flammable.
R20:Harmful by inhalation.
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
(R)-(-)-2-Pentanol Specification
(R)-(-)-2-Pentanol ,its cas register number is 31087-44-2. It also can be called Methyl propyl carbinol ; 2-Hydroxypentane ; sec-Pentyl alcohol and sec-Amyl alcohol .
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