(+/-)-2-methyl-1-butanol
isopentanoyl chloride
2‐methylbutyl isovalerate
Conditions | Yield |
---|---|
With pyridine; dmap In dichloromethane at 0 - 20℃; for 2.5h; | 99.7% |
Product Name: 2-Methylbutyl isovalerate (CAS NO.2445-77-4)
Molecular Formula: C10H20O2
Molecular Weight: 172.26g/mol
Mol File: 2445-77-4.mol
EINECS: 219-496-7
Boiling point: 185 °C at 760 mmHg
Flash Point: 61.7 °C
Density: 0.87 g/cm3
Refractive index: n20/D 1.414(lit.)
Surface Tension: 26.6 dyne/cm
Enthalpy of Vaporization: 42.12 kJ/mol
Vapour Pressure: 0.713 mmHg at 25°C
XLogP3-AA: 3.1
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 2-Methylbutyl isovalerate (CAS NO.2445-77-4):
IUPAC Name: 2-methylbutyl 3-methylbutanoate
Canonical SMILES: CCC(C)COC(=O)CC(C)C
InChI: InChI=1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKey: CYGPPWVXOWCHJB-UHFFFAOYSA-N
Safety Information of 2-Methylbutyl isovalerate (CAS NO.2445-77-4):
WGK Germany: 3
2-Methylbutyl isovalerate , its CAS NO. is 2445-77-4, the synonyms are 2-Methylbutyl 3-methylbutanoate ; AI3-33764 ; Butanoic acid, 3-methyl-, 2-methylbutyl ester ; FEMA No. 3506 ; Isovaleric acid, 2-methylbutyl ester ; 3-Methylbutanoic acid, 2-methylbutyl ester .
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