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| CAS No.: | 1565-80-6 |
|---|---|
| Name: | (S)-(-)-2-Methyl-1-butanol |
| Article Data: | 69 |
| Molecular Structure: | |
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| Formula: | C5H12 O |
| Molecular Weight: | 88.1497 |
| Synonyms: | 1-Butanol,2-methyl-, (S)- (8CI); 1-Butanol, 2-methyl-, (S)-(-)- (7CI); 1-Butanol,2-methyl-, l- (4CI); (-)-(S)-2-Methyl-1-butanol; (-)-2-Methyl-1-butanol;(-)-2-Methylbutanol; (2S)-2-Methylbutan-1-ol; (S)-(-)-2-Methyl-1-butanol;(S)-(-)-2-Methylbutanol; (S)-2-Methyl-1-butanol; D-(-)-2-Methyl-1-butanol |
| EINECS: | 216-366-1 |
| Density: | 0.81 |
| Melting Point: | -70 ºC |
| Boiling Point: | 128 ºC |
| Flash Point: | 43 ºC |
| Solubility: | 36 g/L (30 ºC) in water |
| Appearance: | clear, colorless liquid |
| Hazard Symbols: |
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| Risk Codes: | R10;R20;R37;R66 |
| Safety: | 46-24/25 |
| Transport Information: | UN 1105 |
| PSA: | 20.23000 |
| LogP: | 1.02480 |
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Chemistry
Molecular Structure of (S)-(-)-2-Methyl-1-butanol (1565-80-6):
EINECS: 200-752-1
IUPAC Name: 2-Methylbutan-1-ol
Molecular Formula: C5H12O
Molecular Weight: 88.148180 g/mol
XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CCC(C)CO
InChI: InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
InChIKey: QPRQEDXDYOZYLA-UHFFFAOYSA-N
Freely Rotating Bonds: 3
Index of Refraction: 1.405
Molar Refractivity: 26.7 cm3
Molar Volume: 108.9 cm3
Surface Tension: 25.6 dyne/cm
Density: 0.809 g/cm3
Flash Point: 43.3 °C
Melting Point: -70 °C
Boiling Point: 128.7 °C at 760 mmHg
Enthalpy of Vaporization: 42.7 kJ/mol
Vapour Pressure: 4.76 mmHg at 25 °C
Water Solubility: 3.22e+004 mg/L at 25 °C
Refractive Index: n20/D 1.409(lit.)
Alpha: -5.8 ° (neat 23 °C)
Safety Profile
Safety Information of (S)-(-)-2-Methyl-1-butanol (1565-80-6):
Hazard Codes: Xn .gif){kind=small}
Risk Statements: 10-20-37-66
10: Flammable
20: Harmful by inhalation
37: Irritating to the respiratory system
66: Repeated exposure may cause skin dryness or cracking
Safety Statements: 46-24/25
46: If swallowed, seek medical advice immediately and show this container or label
24/25: Avoid contact with skin and eyes
RIDADR: UN 1105 3/PG 3
WGK Germany: 1
RTECS: SB9800000
Specification
(S)-(-)-2-Methyl-1-butanol (1565-80-6) is a chiral compound with propertie of clear colourless liquid. It is also known as (S)-1-Butano ; (S)-2-Methyl-butan-1-ol ; Amyl alcohol, N- ; Amyl alcohol ; Amyl alcohol, normal ; Alcohol c5 ; 1-Pentanol alcohol ; 1-Pentyl alcohol . When you don't use it, keep away from sources of ignition and store in a tightly closed container in a cool, dry place in flammables-area.