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5-Hexenoic acid

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Name

5-Hexenoic acid

EINECS N/A
CAS No. 1577-22-6 Density 0.973 g/cm3
PSA 37.30000 LogP 1.42730
Solubility Insoluble in water. Melting Point -37°C
Formula C6H10O2 Boiling Point 202.6 °C at 760 mmHg
Molecular Weight 114.144 Flash Point 100.1 °C
Transport Information N/A Appearance Colorless to light yellow liquid
Safety 26-36/37/39-45-27 Risk Codes 34
Molecular Structure Molecular Structure of 1577-22-6 (5-Hexenoic acid) Hazard Symbols CorrosiveC
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

Article Data 12

5-Hexenoic acid 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%.

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%.

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

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