- 2-Methylbutyl 2-methylbutyrate
- 2-Methylbutyl acetate
- 2-Methylbutyl hexanoate
- 2-Methylbutyl isobutyrate
- 2-Methylbutyl isovalerate
- 2-Methylbutyl propionate
- 2-Methylbutyl salicylate
- 2-Methylbutylamine
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Cas Database |
| Name |
2-Methylbutyl isovalerate |
EINECS | 219-496-7 |
| CAS No. | 2445-77-4 | Density | 0.871 g/cm3 |
| PSA | 26.30000 | LogP | 2.62180 |
| Solubility | N/A | Melting Point |
-68.47°C (estimate) |
| Formula | C10H20O2 | Boiling Point | 184.993 °C at 760 mmHg |
| Molecular Weight | 172.268 | Flash Point | 61.667 °C |
| Transport Information | N/A | Appearance | COLORLESS LIQUID |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Methylbutyl 3-methylbutyrate;3-Methylbutyric acid2-methylbutyl ester;Isovalericacid, 2-methylbutyl ester (7CI,8CI);2-Methylbutyl 3-methylbutanoate; |
Article Data | 1 |
2-Methylbutyl isovalerate Synthetic route
| Conditions | Yield |
|---|---|
| With pyridine; dmap In dichloromethane at 0 - 20℃; for 2.5h; | 99.7% |
2-Methylbutyl isovalerate Chemical Properties
Product Name: 2-Methylbutyl isovalerate (CAS NO.2445-77-4)
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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
2-Methylbutyl isovalerate Safety Profile
Safety Information of 2-Methylbutyl isovalerate (CAS NO.2445-77-4):
WGK Germany: 3
2-Methylbutyl isovalerate 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 .
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