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| CAS No.: | 58917-26-3 |
|---|---|
| Name: | (S)-(+)-6-METHYL-5-HEPTEN-2-OL |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H16O |
| Molecular Weight: | 128.214 |
| Synonyms: | 5-Hepten-2-ol,6-methyl-, (S)-;(+)-(S)-Sulcatol;(+)-2-Methylhept-2-en-6-ol;(+)-6-Methyl-5-hepten-2-ol;(+)-Sulcatol;(S)-(+)-Sulcatol;(S)-6-Methyl-5-hepten-2-ol;(S)-Sulcatol;(2S)-6-Methylhept-5-en-2-ol; |
| Density: | 0.844 g/cm3 |
| Boiling Point: | 175 °C at 760 mmHg |
| Flash Point: | 67.8 °C |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 2.11360 |
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- Total:8 Page 1 of 1 1
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Specification
The 5-Hepten-2-ol,6-methyl-,(2S)- with CAS registry number of 58917-26-3 belongs to the classes of Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds.The IUPAC name is (2S)-6-methylhept-5-en-2-ol. In addition, the formula is C8H16O and the molecular weight is 128.21.
Physical properties about this chemical are: (1)ACD/LogP: 2.44; (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: 9.23 Å2; (7)Index of Refraction: 1.446; (8)Molar Refractivity: 40.5 cm3; (9)Molar Volume: 151.8 cm3; (10)Polarizability: 16.05 ×10-24cm3; (11)Surface Tension: 27.5 dyne/cm; (12)Density: 0.844 g/cm3; (13)Flash Point: 67.8 °C; (14)Enthalpy of Vaporization: 47.89 kJ/mol; (15)Boiling Point: 175 °C at 760 mmHg; (16)Vapour Pressure: 0.362 mmHg at 25°C.
Preparation of 5-Hepten-2-ol,6-methyl-,(2S)-: it can be prepared by (S)-6-methyl-5-hepten-2-yl butyrate. The reaction needs reagent KOH and solvent methanol. The reaction time is 1 hour and the yield is about 58%.
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Uses of 5-Hepten-2-ol,6-methyl-,(2S)-: it can react with isocyanatobenzene to get phenyl-carbamic acid 1,5-dimethyl-hex-4-enyl ester. The reaction needs reagent hexane. And the yield is about 70% with ambient temperature.
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When you are using this chemical, please be cautious about it as the following:
You should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H](C)CC\C=C(/C)C
(2)InChI: InChI=1/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3/t8-/m0/s1
(3)InChIKey: OHEFFKYYKJVVOX-QMMMGPOBBT