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Cas Database

Name	Butyl 2-methylbutyrate	EINECS	239-798-2
CAS No.	15706-73-7	Density	0.874 g/cm³
PSA	26.30000	LogP	2.37580
Solubility	N/A	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		Hazard Symbols	N
Synonyms	Butyricacid, 2-methyl-, butyl ester (8CI);Butyl 2-methylbutanoate;n-Butyl 2-methylbutyrate;	Article Data	5

Butyl 2-methylbutyrate Synthetic route

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

: 71-36-3
butan-1-ol

: 15706-73-7
n-butyl 2-methylbutanoate

Conditions

Conditions	Yield
With pyridine; dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 3.5h;	69.6%

: 109-65-9
1-bromo-butane

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

: 15706-73-7
n-butyl 2-methylbutanoate

Conditions

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

: tetramethylammonium phenyltrimethylborate

: 97-88-1
2-methyl-butyl acrylate

: 15706-73-7
n-butyl 2-methylbutanoate

Conditions

Conditions	Yield
With benzophenone In acetonitrile; benzene at 25℃; Irradiation; Yield given;

: 504-61-0
(E)-but-2-enol

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

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

B: 15706-73-7
n-butyl 2-methylbutanoate

Conditions

Conditions	Yield
With potassium carbonate; bis(1,5-cyclooctadiene)diiridium(I) dichloride In toluene at 20℃; for 12h;

: 201230-82-2
carbon monoxide

: 101749-61-5
tri-sec-butylindium

: 71-36-3
butan-1-ol

: 15706-73-7
n-butyl 2-methylbutanoate

Conditions

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.

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: N Dangerous
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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