Product Name

  • Name

    FEMA 3393

  • EINECS 239-798-2
  • CAS No. 15706-73-7
  • Article Data5
  • CAS DataBase
  • Density 0.874 g/cm3
  • Solubility
  • Melting Point 174-176 °C
  • Formula C9H18O2
  • Boiling Point 176.5 °C at 760 mmHg
  • Molecular Weight 158.241
  • Flash Point 59.4 °C
  • Transport Information UN 3272 3/PG 3
  • Appearance Clear colourless liquid
  • Safety 61
  • Risk Codes 51/53
  • Molecular Structure Molecular Structure of 15706-73-7 (FEMA 3393)
  • Hazard Symbols DangerousN
  • Synonyms Butyricacid, 2-methyl-, butyl ester (8CI);Butyl 2-methylbutanoate;n-Butyl 2-methylbutyrate;
  • PSA 26.30000
  • LogP 2.37580

Synthetic route

2-Methylbutanoic acid
116-53-0, 600-07-7

2-Methylbutanoic acid

butan-1-ol
71-36-3

butan-1-ol

n-butyl 2-methylbutanoate
15706-73-7

n-butyl 2-methylbutanoate

Conditions
ConditionsYield
With pyridine; dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 3.5h;69.6%
1-bromo-butane
109-65-9

1-bromo-butane

2-Methylbutanoic acid
116-53-0, 600-07-7

2-Methylbutanoic acid

n-butyl 2-methylbutanoate
15706-73-7

n-butyl 2-methylbutanoate

Conditions
ConditionsYield
With ISOPROPYLAMIDE; tetra(n-butyl)ammonium hydroxide at 100℃; for 1h; 1) pH 10 - 12;
tetramethylammonium phenyltrimethylborate

tetramethylammonium phenyltrimethylborate

2-methyl-butyl acrylate
97-88-1

2-methyl-butyl acrylate

n-butyl 2-methylbutanoate
15706-73-7

n-butyl 2-methylbutanoate

Conditions
ConditionsYield
With benzophenone In acetonitrile; benzene at 25℃; Irradiation; Yield given;
(E)-but-2-enol
504-61-0

(E)-but-2-enol

2-Methylbutyraldehyde
96-17-3, 57456-98-1

2-Methylbutyraldehyde

A

2-Methyl-butyric acid (E)-but-2-enyl ester

2-Methyl-butyric acid (E)-but-2-enyl ester

B

n-butyl 2-methylbutanoate
15706-73-7

n-butyl 2-methylbutanoate

Conditions
ConditionsYield
With potassium carbonate; bis(1,5-cyclooctadiene)diiridium(I) dichloride In toluene at 20℃; for 12h;
carbon monoxide
201230-82-2

carbon monoxide

tri-sec-butylindium
101749-61-5

tri-sec-butylindium

butan-1-ol
71-36-3

butan-1-ol

n-butyl 2-methylbutanoate
15706-73-7

n-butyl 2-methylbutanoate

Conditions
ConditionsYield
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.

Butyl 2-methylbutyrate Chemical Properties

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

Butyl 2-methylbutyrate Safety Profile

Safety Information of 2-methyl butyl butyrate (CAS NO.15706-73-7):
Hazard Codes: NDangerous
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

Butyl 2-methylbutyrate Specification

 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 .

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