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CAS No.: | 24342-03-8 |
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Name: | ISOBUTYL VINYLACETATE |
Molecular Structure: | |
Formula: | C14H22N2O |
Molecular Weight: | 142.198 |
Synonyms: | 3-Butenoicacid, isobutyl ester (8CI);Isobutyl 3-butenoate; |
EINECS: | 401-170-2 |
Density: | 0.891 g/cm3 |
Boiling Point: | 160.1 °C at 760 mmHg |
Flash Point: | 53 °C |
Hazard Symbols: | R10:Flammable.; |
Risk Codes: | 10 |
Safety: | 16 |
PSA: | 26.30000 |
LogP: | 1.76170 |
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The 3-Butenoicacid, 2-methylpropyl ester, with the CAS registry number 24342-03-8, is also known as Isobutyl 3-butenoate. Its EINECS registry number is 401-170-2. This chemical's molecular formula is C14H22N2O and molecular weight is 234.33728. Its systematic name is called 2-methylpropyl but-3-enoate. When you are using this chemical, please be cautious about it. This chemical is flammable. You should keep it away from sources of ignition - No smoking.
Physical properties of 3-Butenoicacid, 2-methylpropyl ester: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 2.41; (4)ACD/BCF (pH 5.5): 40.29; (5)ACD/BCF (pH 7.4): 40.29; (6)ACD/KOC (pH 5.5): 490.5; (7)ACD/KOC (pH 7.4): 490.5; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.422; (11)Molar Refractivity: 40.57 cm3; (12)Molar Volume: 159.5 cm3; (13)Surface Tension: 26.3 dyne/cm; (14)Density: 0.891 g/cm3; (15)Flash Point: 53 °C; (16)Enthalpy of Vaporization: 39.67 kJ/mol; (17)Boiling Point: 160.1 °C at 760 mmHg; (18)Vapour Pressure: 2.42 mmHg at 25°C.
Uses of 3-Butenoicacid, 2-methylpropyl ester: it can be used to produce oxiranyl-acetic acid isobutyl ester. This reaction will need reagent m-chloroperoxybenzoic acid and solvent CHCl3 with reaction time of 50 hours. The yield is about 83%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(C)C)C\C=C
(2)InChI: InChI=1/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4,7H,1,5-6H2,2-3H3
(3)InChIKey: RLCJPGSPFOFWPR-UHFFFAOYAI