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CAS No.: | 17397-24-9 |
---|---|
Name: | (+)-(S)-HEX-1-EN-5-OL |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C6H12O |
Molecular Weight: | 100.161 |
Synonyms: | (S)-(+)-1-Hexen-5-ol;(S)-(+)-5-Hexen-2-ol;(S)-Hex-5-en-2-ol;5-Hexen-2-ol, (S)-(+)- (8CI);5-Hexen-2-ol,(S)-; |
Density: | 0.83 g/cm3 |
Boiling Point: | 140.051 °C at 760 mmHg |
Flash Point: | 48.609 °C |
Appearance: | liquid |
Risk Codes: | 10 |
PSA: | 20.23000 |
LogP: | 1.33340 |
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This chemical is called 5-Hexen-2-ol, (2S)-, and its systematic name is (2S)-hex-5-en-2-ol. With the molecular formula of C6H12O, its product categories are Alcohols; Chiral Building Blocks. The CAS registry number of this chemical is 17397-24-9. In addition, this chemical should be sealed in the cool and dry place, away from oxides, heat and fire.
Other characteristics of the 5-Hexen-2-ol, (2S)- can be summarised as followings: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 20.23 Å2; (7)Index of Refraction: 1.429; (8)Molar Refractivity: 31.065 cm3; (9)Molar Volume: 120.552 cm3; (10)Polarizability: 12.315×10-24cm3; (11)Surface Tension: 26.679 dyne/cm; (12)Density: 0.831 g/cm3; (13)Flash Point: 48.609 °C; (14)Enthalpy of Vaporization: 43.957 kJ/mol; (15)Boiling Point: 140.051 °C at 760 mmHg; (16)Vapour Pressure: 2.58 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O[C@@H](C)CC\C=C
2.InChI: InChI=1/C6H12O/c1-3-4-5-6(2)7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1
3.InChIKey: LNPNXWKVAFKIBX-LURJTMIEBV