Basic information
- Name:
4-Penten-1-ol
- CAS No.:
821-09-0
- Molecular Structure:
- Formula:
- C5H10O
- Molecular Weight:
- 86.13
- 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
- Boiling Point:
- 141 °C at 760 mmHg
- Flash Point:
- 43.3 °C
- Appearance:
- colourless liquid
- Hazard Symbols:
Xn- Risk Codes:
- 10-37-20
- Safety Description:
- 23-24/25-16 Details
- Transport Information:
- UN 1987 3/PG 3
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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
