CAS No.15877-57-3,3-METHYL-1-PENTANAL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15877-57-3
Name:	3-METHYL-1-PENTANAL
Article Data:	32

Formula:	C₆H₁₂O
Molecular Weight:	100.161
Synonyms:	Valeraldehyde,3-methyl- (6CI,7CI,8CI);3-Ethylbutanal;3-Methylpentanal;3-Methylvaleraldehyde;NSC 102764;b-Methylvaleraldehyde;
EINECS:	240-014-6
Density:	0.799 g/cm³
Melting Point:	-72.5°C (estimate)
Boiling Point:	123 °C at 760 mmHg
Flash Point:	17.8 °C
PSA:	17.07000
LogP:	1.62150

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Specification

The Pentanal, 3-methyl- is an organic compound with the formula C₆H₁₂O. The IUPAC name of this chemical is 3-Methylpentanal. With the CAS registry number 15877-57-3, it is also named as 3-Ethylbutanal. Besides, its molecular weight is 100.16.

Physical properties about Pentanal, 3-methyl- are: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.78; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 13.38; (5)ACD/BCF (pH 7.4): 13.38; (6)ACD/KOC (pH 5.5): 222.85; (7)ACD/KOC (pH 7.4): 222.85; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.394; (12)Molar Refractivity: 29.99 cm³; (13)Molar Volume: 125.2 cm³; (14)Polarizability: 11.88×10^-24 cm³; (15)Surface Tension: 23.9 dyne/cm; (16)Density: 0.799 g/cm³; (17)Flash Point: 17.8 °C; (18)Enthalpy of Vaporization: 36.1 kJ/mol; (19)Boiling Point: 123 °C at 760 mmHg; (20)Vapour Pressure: 13.6 mmHg at 25 °C.

Preparation: this chemical can be prepared by But-2-enal. This reaction will need catalyst phenol and solvent benzene. The reaction time is 16 hours with reaction temperature of 35 - 50 °C. The yield is about 42%.

Pentanal, 3-methyl- can be obtained by But-2-enal and Ethylazodiphenylmethanol

Uses of Pentanal, 3-methyl-: it can be used to produce 3-Methylpentanal tosylhydrazone. It will need solvent tetrahydrofuran with reaction time of 30 min. The yield is about 72%.

Pentanal, 3-methyl- and Toluene-4-sulfonic acid hydrazide can be used to produce 3-Methylpentanal tosylhydrazone

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3
(2)InChIKey: YJWJGLQYQJGEEP-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3
(4)Std. InChIKey: YJWJGLQYQJGEEP-UHFFFAOYSA-N