CAS No.2445-67-2,Iso-Butyl-2-Methylbutyrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2445-67-2
Name:	Iso-Butyl-2-Methylbutyrate
Article Data:	2

Formula:	C₉H₁₈O₂
Molecular Weight:	158.241
Synonyms:	Butyricacid, 2-methyl-, isobutyl ester (7CI,8CI);2-Methylpropyl 2-methylbutyrate;Isobutyl 2-methylbutanoate;Isobutyl 2-methylbutyrate;
EINECS:	219-492-5
Density:	0.873 g/cm³
Boiling Point:	165.2 °C at 760 mmHg
Flash Point:	50.5 °C
PSA:	26.30000
LogP:	2.23170

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Specification

The Butanoic acid,2-methyl-, 2-methylpropyl ester, with the CAS registry number 2445-67-2, is also known as Isobutyl 2-methylbutanoate. Its EINECS registry number is 219-492-5. This chemical's molecular formula is C₉H₁₈O₂ and molecular weight is 158.238. Its systematic name is called 2-methylpropyl 2-methylbutanoate.

Physical properties of Butanoic acid,2-methyl-, 2-methylpropyl ester: (1)ACD/LogP: 3.00; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 111.65; (5)ACD/BCF (pH 7.4): 111.65; (6)ACD/KOC (pH 5.5): 1017.34; (7)ACD/KOC (pH 7.4): 1017.34; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.415; (11)Molar Refractivity: 45.43 cm³; (12)Molar Volume: 181.3 cm³; (13)Surface Tension: 26 dyne/cm; (14)Density: 0.872 g/cm³; (15)Flash Point: 50.5 °C; (16)Enthalpy of Vaporization: 40.17 kJ/mol; (17)Boiling Point: 165.2 °C at 760 mmHg; (18)Vapour Pressure: 1.89 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(C)C)C(CC)C
(2)InChI: InChI=1/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3
(3)InChIKey: NWZQCEQAPBRMFX-UHFFFAOYAO