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2445-77-4

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Basic Information
CAS No.: 2445-77-4
Name: 2-Methylbutyl isovalerate
Article Data: 1
Molecular Structure:
Molecular Structure of 2445-77-4 (2-Methylbutyl isovalerate)
Formula: C10H20O2
Molecular Weight: 172.268
Synonyms: 2-Methylbutyl 3-methylbutyrate;3-Methylbutyric acid2-methylbutyl ester;Isovalericacid, 2-methylbutyl ester (7CI,8CI);2-Methylbutyl 3-methylbutanoate;
EINECS: 219-496-7
Density: 0.871 g/cm3
Melting Point: -68.47°C (estimate)
Boiling Point: 184.993 °C at 760 mmHg
Flash Point: 61.667 °C
Appearance: COLORLESS LIQUID
PSA: 26.30000
LogP: 2.62180
Related products
Synthetic route
137-32-6

(+/-)-2-methyl-1-butanol

108-12-3

isopentanoyl chloride

2445-77-4

2‐methylbutyl isovalerate

Conditions
ConditionsYield
With pyridine; dmap In dichloromethane at 0 - 20℃; for 2.5h;99.7%
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Chemistry

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 Profile

Safety Information of 2-Methylbutyl isovalerate (CAS NO.2445-77-4):
WGK Germany: 3

Specification

 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 .