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4-Penten-2-ol

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Name

4-Penten-2-ol

EINECS 210-887-8
CAS No. 625-31-0 Density 0.827 g/cm3
PSA 20.23000 LogP 0.94330
Solubility N/A Melting Point 25.74°C
Formula C5H10O Boiling Point 115.5 °C at 760 mmHg
Molecular Weight 86.1338 Flash Point 25.6 °C
Transport Information UN 1987 Appearance clear colourless liquid
Safety 23-24/25-16 Risk Codes 10
Molecular Structure Molecular Structure of 625-31-0 (4-Penten-2-ol) Hazard Symbols HarmfulXn, FlammableF
Synonyms

1-Methylbut-3-enyl alcohol;1-Penten-4-ol;4-Hydroxypent-1-ene;4-Pentene-2-ol;NSC 65447;

Article Data 81

4-Penten-2-ol Specification

The 4-Penten-2-ol, with the CAS registry number of 625-31-0, is also known as Allyl methyl carbinol and 1-Penten-4-ol. Its EINECS registry number is 210-887-8. This chemical's molecular formula is C5H10O and molecular weight is 86.13. What's more, its IUPAC name is Pent-4-en-2-ol. In addition, it should be stored in dry, cool, airtight place. And keep the storage place way from oxidant.

Physical properties about 4-Penten-2-ol are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.87; (6)ACD/BCF (pH 7.4): 2.87; (7)ACD/KOC (pH 5.5): 74.02; (8)ACD/KOC (pH 7.4): 74.02; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 26.43 cm3; (15)Molar Volume: 104 cm3; (16)Polarizability: 10.47×10-24 cm3; (17)Surface Tension: 25.6 dyne/cm; (18)Density: 0.827 g/cm3; (19)Flash Point: 25.6 °C; (20)Enthalpy of Vaporization: 41.25 kJ/mol; (21)Boiling Point: 115.5 °C at 760 mmHg; (22)Vapour Pressure: 9.56 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 3-Bromo-propene with Acetaldehyde at heating. The reaction needs reagent Mg and solvent Diethyl ether. The reaction time is 5 hours. The yield is about 80 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-Bromo-pent-1-ene. The reaction needs reagent PBr3 and solvent Diethyl ether. Other condition of this reaction is reaction time of 90 minutes at 0 °C.

When you are using this chemical, please be cautious about it as the following: 
As a chemical, it may cause damage to health. The vapour of this chemical can not be breathed. And you should avoid contacting with skin and eyes. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C)C\C=C
(2) InChI: InChI=1/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3
(3) InChIKey: ZHZCYWWNFQUZOR-UHFFFAOYAI

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