4-Hexen-1-ol supplier | CasNO.6126-50-7

Name
E-4-Hexen-1-ol
EINECS 213-188-6
CAS No. 6126-50-7
Article Data27
CAS DataBase
Density 0.843 g/cm³
Solubility
Melting Point 22.55°C (estimate)
Formula C₆H₁₂O
Boiling Point 158.5 °C at 760 mmHg
Molecular Weight 100.161
Flash Point 59.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 409218;
PSA 20.23000
LogP 1.33500

4-Hexen-1-ol Specification

This chemical is called 4-Hexen-1-ol, and its systematic name is hex-4-en-1-ol. With the molecular formula of C₆H₁₂O, its molecular weight is 100.16. The CAS registry number of this chemical is 6126-50-7.

Other characteristics of the 4-Hexen-1-ol can be summarised as followings: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 8.73; (6)ACD/BCF (pH 7.4): 8.73; (7)ACD/KOC (pH 5.5): 164.1; (8)ACD/KOC (pH 7.4): 164.1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 31.43 cm³; (15)Molar Volume: 118.6 cm³; (16)Polarizability: 12.46×10^-24cm³; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 0.843 g/cm³; (19)Flash Point: 59.9 °C; (20)Enthalpy of Vaporization: 46.02 kJ/mol; (21)Boiling Point: 158.5 °C at 760 mmHg; (22)Vapour Pressure: 0.929 mmHg at 25°C.

Production method of this chemical: The 4-Hexen-1-ol could be obtained by the reactant of 6,8-dioxa-bicyclo[3.2.1]oct-2-ene. This reaction needs the reagent of LiAlH₄, and the solvent of 1,2-dimethoxy-ethane. The yield is 23 %. In addition, this reaction should be taken for 150 hours. The other condition is heating.

You can still convert the following datas into molecular structure:
1.SMILES: OCCCC=CC
2.InChI: InChI=1/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3
3.InChIKey: VTIODUHBZHNXFP-UHFFFAOYAO

Product Name

E-4-Hexen-1-ol

4-Hexen-1-ol Specification

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