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| CAS No.: | 928-92-7 |
|---|---|
| Name: | (E)-4-Hexen-1-ol |
| Article Data: | 87 |
| Molecular Structure: | |
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| Formula: | C6H12O |
| Molecular Weight: | 100.161 |
| Synonyms: | 4-Hexen-1-ol,(E)- (8CI);(4E)-4-Hexen-1-ol;(E)-4-Hexen-1-ol;trans-4-Hexen-1-ol;(4E)-hex-4-en-1-ol;(E)-hex-4-en-1-ol; |
| EINECS: | 213-188-6 |
| Density: | 0.843 g/cm3 |
| Melting Point: | 22.55°C (estimate) |
| Boiling Point: | 158.5 °C at 760 mmHg |
| Flash Point: | 61.1 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 20.23000 |
| LogP: | 1.33500 |
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Specification
The 4-Hexen-1-ol, (4E)-, with the CAS registry number 928-92-7 and EINECS registry number 213-188-6, has the systematic name of (4E)-hex-4-en-1-ol. It belongs to the following product categories: Alcohol& Phenol& Ethers; Acyclic; Alkenes; Organic Building Blocks; Organic Building Blocks. And the molecular formula of the chemical is C6H12O.
The characteristics of 4-Hexen-1-ol, (4E)- are 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: 61.1 °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.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCC/C=C/C
(2)InChI: InChI=1/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+
(3)InChIKey: VTIODUHBZHNXFP-NSCUHMNNBT