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Butanal,2-ethyl-3-methyl- (26254-92-2)

Identification
Name:Butanal,2-ethyl-3-methyl-
CAS:26254-92-2
EINECS: 247-551-5
Molecular Formula: C7H14 O
Molecular Weight: 114.19
InChI: InChI=1/C7H14O/c1-4-7(5-8)6(2)3/h5-7H,4H2,1-3H3
Molecular Structure: (C7H14O) Butyraldehyde,2-ethyl-3-methyl- (6CI,7CI,8CI); (?à)-2-Isopropylbutyraldehyde; 2-Ethyl-3-methylbutan...
Properties
Flash Point: 33 ºC
Density:0.803
Refractive index:1.401
Specification:

The IUPAC name of 2-Isopropylbutanal is 2-ethyl-3-methylbutanal . With the CAS registry number 26254-92-2, it is also named as 2-Ethyl-3-methylbutyraldehyde ; Butanal, 2-ethyl-3-methyl- ; 2-Ethylisovaleraldehyde . It can be used in the organic synthesis.

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 24.58 ; (2)ACD/BCF (pH 7.4): 24.58 ; (3)ACD/KOC (pH 5.5): 344.35 ; (4)ACD/KOC (pH 7.4): 344.35 ; (5)#H bond acceptors: 1 ; (6)#H bond donors: 0 ; (7)#Freely Rotating Bonds: 3 ; (8)Index of Refraction: 1.401 ; (9)Molar Refractivity: 34.58 cm3 ; (10)Molar Volume: 142.1 cm3 ; (11)Polarizability: 13.7×10-24 cm3 ; (12)Surface Tension: 23.8 dyne/cm ; (13)Enthalpy of Vaporization: 37.19 kJ/mol ; (14)Vapour Pressure: 8.08 mmHg at 25°C ; (15)Rotatable Bond Count: 3 ; (16)Tautomer Count: 2 ; (17)Exact Mass: 114.104465 ; (18)MonoIsotopic Mass: 114.104465 ; (19)Topological Polar Surface Area: 17.1 ; (20)Heavy Atom Count: 8.

People can use the following data to convert to the molecule structure. SMILES: O=CC(CC)C(C)C; InChI: InChI=1/C7H14O/c1-4-7(5-8)6(2)3/h5-7H,4H2,1-3H3; InChIKey: SHGPBDQRELYPLO-UHFFFAOYAT. 2-Isopropylbutanal has many suppliers, such as Beijing Kaida Technology Development Co., Ltd. and Chengdu Ablexienuo Chemical Technology Co., Ltd.. The price of this product changes with the market. 

Flash Point: 33 ºC
Safety Data