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| CAS No.: | 1577-22-6 |
|---|---|
| Name: | 5-Hexenoic acid |
| Molecular Structure: | |
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|
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| Formula: | C6H10O2 |
| Molecular Weight: | 114.144 |
| Synonyms: | 5-Hexenoic acid, GC 96%;5-HEXENOIC ACID 99%;5-HEXENOIC ACID 98+%;RARECHEM AL BO 0638;5-HEXENOIC ACID;hex-5-enoic acid |
| Density: | 0.973 g/cm3 |
| Melting Point: | -37°C |
| Boiling Point: | 202.6 °C at 760 mmHg |
| Flash Point: | 100.1 °C |
| Solubility: | Insoluble in water. |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45-27 |
| PSA: | 37.30000 |
| LogP: | 1.42730 |
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Specification
The 5-Hexenoic acid is an organic compound with the formula C6H10O2. The IUPAC name of this chemical is Hex-5-enoic acid. The CAS registry number of this chemical is 1577-22-6. Besides, it should be stored in a cool, sealed, dry place.
Physical properties about 5-Hexenoic acid are: (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): 0.55; (3)ACD/LogD (pH 7.4): -1.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.27; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 31.13 cm3; (14)Molar Volume: 117.2 cm3; (15)Polarizability: 12.34×10-24 cm3; (16)Surface Tension: 33.2 dyne/cm; (17)Density: 0.973 g/cm3; (18)Flash Point: 100.1 °C; (19)Enthalpy of Vaporization: 48.37 kJ/mol; (20)Boiling Point: 202.6 °C at 760 mmHg; (21)Vapour Pressure: 0.12 mmHg at 25 °C.
Preparation: this chemical can be prepared by Hex-5-en-1-ol. This reaction will need reagent chromic acid and solvents acetone; H2O. The yield is about 76.6%.
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Uses of 5-Hexenoic acid: it can be used to produce 6-Iodomethyl-tetrahydro-pyran-2-one. It will need reagents Oxone(R); aq. KI and solvent acetonitrile with reaction time of 50 min. The yield is about 83%.
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When you are using this chemical, please be cautious about it as the following:
It causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection and take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
(2)InChIKey: XUDOZULIAWNMIU-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
(4)Std. InChIKey: XUDOZULIAWNMIU-UHFFFAOYSA-N