5-Hepten-2-ol,6-methyl-,(2S)- supplier

Name
(S)-(+)-6-METHYL-5-HEPTEN-2-OL
EINECS
CAS No. 58917-26-3
Article Data5
CAS DataBase
Density 0.844 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O
Boiling Point 175 °C at 760 mmHg
Molecular Weight 128.214
Flash Point 67.8 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 20.23000
LogP 2.11360

5-Hepten-2-ol,6-methyl-,(2S)- 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%.

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.

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

Product Name

(S)-(+)-6-METHYL-5-HEPTEN-2-OL

5-Hepten-2-ol,6-methyl-,(2S)- Specification

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