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CAS No.: | 15706-73-7 |
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Name: | FEMA 3393 |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H18O2 |
Molecular Weight: | 158.241 |
Synonyms: | Butyricacid, 2-methyl-, butyl ester (8CI);Butyl 2-methylbutanoate;n-Butyl 2-methylbutyrate; |
EINECS: | 239-798-2 |
Density: | 0.874 g/cm3 |
Melting Point: | 174-176 °C |
Boiling Point: | 176.5 °C at 760 mmHg |
Flash Point: | 59.4 °C |
Appearance: | Clear colourless liquid |
Hazard Symbols: | N |
Risk Codes: | 51/53 |
Safety: | 61 |
Transport Information: | UN 3272 3/PG 3 |
PSA: | 26.30000 |
LogP: | 2.37580 |
Conditions | Yield |
---|---|
With pyridine; dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 3.5h; | 69.6% |
Conditions | Yield |
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With ISOPROPYLAMIDE; tetra(n-butyl)ammonium hydroxide at 100℃; for 1h; 1) pH 10 - 12; |
2-methyl-butyl acrylate
n-butyl 2-methylbutanoate
Conditions | Yield |
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With benzophenone In acetonitrile; benzene at 25℃; Irradiation; Yield given; |
Conditions | Yield |
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With potassium carbonate; bis(1,5-cyclooctadiene)diiridium(I) dichloride In toluene at 20℃; for 12h; |
carbon monoxide
tri-sec-butylindium
butan-1-ol
n-butyl 2-methylbutanoate
Conditions | Yield |
---|---|
With 6,6'-bis(diphenylphosphanyl)-2,2',3,3'-tetrahydro-5,5'-bi-1,4-benzodioxin; bis-triphenylphosphine-palladium(II) chloride; Desyl chloride at 60℃; under 2585.81 Torr; for 36h; | 60 %Chromat. |
Product Name: 2-methyl butyl butyrate (CAS NO.15706-73-7)
Molecular Formula: C9H18O2
Molecular Weight: 158.24g/mol
Mol File: 15706-73-7.mol
EINECS: 256-973-9
Melting Point: 174-176 °C
Boiling point: 176.5 °C at 760 mmHg
Flash Point: 59.4 °C
Density: 0.874 g/cm3
Surface Tension: 26.9 dyne/cm
Enthalpy of Vaporization: 41.28 kJ/mol
Vapour Pressure: 1.09 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 2-methyl butyl butyrate (CAS NO.15706-73-7):
IUPAC Name: butyl 2-methylbutanoate
Canonical SMILES: CCCCOC(=O)C(C)CC
InChI: InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3
InChIKey: OTKQNSSMCDLVQV-UHFFFAOYSA-N
Product Categories: A-B; Alphabetical Listings; Flavors and Fragrances; C8 to C9; Carbonyl Compounds; Esters
Safety Information of 2-methyl butyl butyrate (CAS NO.15706-73-7):
Hazard Codes: N
Risk Statements: 51/53
51: Toxic to aquatic organisms
53: May cause long-term adverse effects in the aquatic environment
Safety Statements: 61
61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR: UN 3272 3/PG 3
WGK Germany: 3
HazardClass: 3.2
PackingGroup: III
2-methyl butyl butyrate , its CAS NO. is 15706-73-7, the synonyms are Butanoic acid, 2-methyl-, butyl ester ; Butyl 2-methylbutanoate ; Butyric acid, 2-methyl-, butyl ester ; alpha-Butyl 2-methylbutylate ; n-Butyl-2-methylbutyrate .