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| CAS No.: | 52019-78-0 |
|---|---|
| Name: | (S)-(+)-2-Hexanol |
| Article Data: | 10 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H14O |
| Molecular Weight: | 102.177 |
| Synonyms: | (+)-2-Hexanol;(2S)-Hexan-2-ol;(S)-2-Hexanol; |
| EINECS: | 210-971-4 |
| Density: | 0.814 g/cm3 |
| Melting Point: | -48.42°C (estimate) |
| Boiling Point: | 139.7 °C at 760 mmHg |
| Flash Point: | 46.111 °C |
| Solubility: | slightly soluble in Water |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 Xn, Xi, F
|
| Risk Codes: | 10-22-36/37/38-36 |
| Safety: | 16-26-36-39 |
| Transport Information: | UN 1992 3/PG 3 |
| PSA: | 20.23000 |
| LogP: | 1.55740 |
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Chemistry
Molecular Structure of (S)-(+)-2-hexanol (52019-78-0):
IUPAC Name: hexan-2-ol
Molecular Formula: C6H14O
Molecular Weight: 102.174760 g/mol
XLogP3: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CCCCC(C)O
InChI: InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
InChIKey: QNVRIHYSUZMSGM-UHFFFAOYSA-N
Freely Rotating Bonds: 4
Index of Refraction: 1.413
Molar Refractivity: 31.33 cm3
Molar Volume: 125.4 cm3
Surface Tension: 26.6 dyne/cm
Density: 0.814 g/cm3
Flash Point: 46.1 °C
Boiling Point: 139.7 °C at 760 mmHg
Enthalpy of Vaporization: 41.01 kJ/mol
Vapour Pressure: 2.63 mmHg at 25 °C
Water Solubility: 1.171e+004 mg/L at 25 °C
Refractive Index: n20/D 1.415(lit.)
Alpha: 11 ° (C=NEAT)
BRN: 1718997
Safety Profile
Safety Information of (S)-(+)-2-hexanol (52019-78-0):
Hazard Codes: Xn,Xi .gif){kind=small}
,F .gif){kind=small}
Risk Statements: 10-22-36/37/38-36
10: Flammable
12: Extremely Flammable
36/37/38: Irritating to eyes, respiratory system and skin
36: Irritating to the eyes
Safety Statements: 16-26-36-39
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
39: Wear eye/face protection
RIDADR UN: 1992 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III
Specification
(S)-(+)-2-hexanol (52019-78-0) is chiral compound with appearance of colorless to light yellow liquid. (S)-(+)-2-hexanol (52019-78-0) is also known as (S)-2-hexanol ; (S)-(+)-hydroxyhexane ; (S)-(+)-hexanol ; (S)-1,3-butanediol ee 99+% ; (S)-hexan-2-ol ; S-(+)-2-hexanol ,98% . It is incompatible with other materials such as strong oxidizing agents, strong oxidizing agents, acids and acid chlorides.