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| CAS No.: | 821-09-0 |
|---|---|
| Name: | 4-Penten-1-ol |
| Molecular Structure: | |
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|
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| Formula: | C5H10O |
| Molecular Weight: | 86.1338 |
| Synonyms: | 1-Hydroxy-4-pentene;1-Penten-5-ol;4-Pentenol;4-Pentenyl alcohol;5-Hydroxy-1-pentene;NSC 97503; |
| EINECS: | 212-473-2 |
| Density: | 0.83 g/cm3 |
| Melting Point: | 14.19°C (estimate) |
| Boiling Point: | 141 °C at 760 mmHg |
| Flash Point: | 43.3 °C |
| Solubility: | Solubility in water: 57 g/L (25°C) |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 10-37-20 |
| Safety: | 23-24/25-16 |
| Transport Information: | UN 1987 3/PG 3 |
| PSA: | 20.23000 |
| LogP: | 0.94490 |
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Specification
The 4-Penten-1-ol, with the CAS registry number 821-09-0, is also known as 1-Hydroxy-4-pentene. It belongs to the product categories of All Aliphatics; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; omega-Unsaturated Alkanols; Aliphatics; Miscellaneous Reagents. Its EINECS number is 212-473-2. This chemical's molecular formula is C5H10O and molecular weight is 86.13. What's more, its systematic name is pent-4-en-1-ol. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It can be used in the manufacturing of all types of flavor concentrates.
Physical properties of 4-Penten-1-ol are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.49; (6)ACD/BCF (pH 7.4): 3.49; (7)ACD/KOC (pH 5.5): 85.22; (8)ACD/KOC (pH 7.4): 85.22; (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: 1.424; (14)Molar Refractivity: 26.47 cm3; (15)Molar Volume: 103.6 cm3; (16)Polarizability: 10.49×10-24cm3; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 0.83 g/cm3; (19)Flash Point: 43.3 °C; (20)Enthalpy of Vaporization: 44.06 kJ/mol; (21)Boiling Point: 141 °C at 760 mmHg; (22)Vapour Pressure: 2.45 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-chloro-tetrahydro-pyran. This reaction will need reagent sodium and solvent diethyl ether. The yield is about 90%.
Uses of 4-Penten-1-ol: it can be used to produce 5-chloro-pent-1-ene at the ambient temperature. It will need reagent SOCl2 and solvents CH2Cl2, pyridine. The yield is about 66%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and is irritating to respiratory system. It is flammable, so you should keep it away from sources of ignition - No smoking. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCC\C=C
(2)Std. InChI: InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2
(3)Std. InChIKey: LQAVWYMTUMSFBE-UHFFFAOYSA-N