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 Information of (S)-(+)-2-hexanol (52019-78-0):
Hazard Codes: Xn,Xi ,F
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
(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.
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