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Name |
3-Butenoicacid, 2-methylpropyl ester |
EINECS | 401-170-2 |
CAS No. | 24342-03-8 | Density | 0.891 g/cm3 |
PSA | 26.30000 | LogP | 1.76170 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H22N2O | Boiling Point | 160.1 °C at 760 mmHg |
Molecular Weight | 142.198 | Flash Point | 53 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 16 | Risk Codes | 10 |
Molecular Structure | Hazard Symbols | R10:Flammable.; | |
Synonyms |
3-Butenoicacid, isobutyl ester (8CI);Isobutyl 3-butenoate; |
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