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| CAS No.: | 4798-44-1 |
|---|---|
| Name: | 1-Hexen-3-ol |
| Article Data: | 57 |
| Molecular Structure: | |
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| Formula: | C6H12O |
| Molecular Weight: | 100.161 |
| Synonyms: | 1-Propylallylalcohol;1-Vinylbutanol;3-Hydroxy-1-hexene;NSC 89701;Propylvinylcarbinol; |
| EINECS: | 225-355-0 |
| Density: | 0.83 g/cm3 |
| Melting Point: | -15oC |
| Boiling Point: | 133.9 °C at 760 mmHg |
| Flash Point: | 35 °C |
| Solubility: | Insoluble in water clear colorless to very slightly yellow liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16-29-33 |
| Transport Information: | UN 1987 3/PG 3 |
| PSA: | 20.23000 |
| LogP: | 1.33340 |
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Specification
The CAS register number of 1-Hexen-3-ol is 4798-44-1. It also can be called as Propyl vinyl carbinol and the IUPAC name about this chemical is hex-1-en-3-ol. The molecular formula about this chemical is C6H12O and the molecular weight is 100.16. It belongs to the following product categories, such as Acyclic; Alkenes; Organic Building Blocks; Alphabetical Listings; Flavors and Fragrances; G-H and so on. This chemical is stable under normal temperatures and pressures. If you want to store this chemical, please keep it in a tightly closed container and store it in a cool, dry place.
Physical properties about 1-Hexen-3-ol are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.58; (4)ACD/BCF (pH 5.5): 9.34; (5)ACD/BCF (pH 7.4): 9.34; (6)ACD/KOC (pH 5.5): 172.2; (7)ACD/KOC (pH 7.4): 172.2; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.428; (13)Molar Refractivity: 31.06 cm3; (14)Molar Volume: 120.5 cm3; (15)Polarizability: 12.31x10-24cm3; (16)Surface Tension: 26.6 dyne/cm; (17)Flash Point: 35 °C; (18)Enthalpy of Vaporization: 43.28 kJ/mol; (19)Boiling Point: 133.9 °C at 760 mmHg; (20)Vapour Pressure: 3.6 mmHg at 25°C.
Preparation: this chemical can be prepared by butyraldehyde and vinylmagnesium bromide. This reaction will need reagent diethyl ether.
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Uses of 1-Hexen-3-ol: it can be used to produce hex-1-en-3-one at temperature of 40 - 45 ℃. This reaction will need reagent Cr2O3-H2SO4.
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When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. When you are using it, please take precautionary measures against static discharges and keep away from sources of ignition, you also do not empty into drains.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(\C=C)CCC
(2)InChI: InChI=1/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
(3)InChIKey: BVOSSZSHBZQJOI-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
(5)Std. InChIKey: BVOSSZSHBZQJOI-UHFFFAOYSA-N