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CAS No.: | 14250-96-5 |
---|---|
Name: | 2-METHYL-2-PENTENAL |
Article Data: | 111 |
Molecular Structure: | |
Formula: | C6H10O |
Molecular Weight: | 98.1448 |
Synonyms: | 2-Pentenal,2-methyl-, (E)- (8CI);(2E)-2-Methylpent-2-enal;(E)-2-Methyl-2-penten-1-al;(E)-2-Methylpentenal;trans-2-Methylpent-2-enal;(E)-2-Methylpent-2-enal; |
EINECS: | 210-789-5 |
Density: | 0.83 g/cm3 |
Melting Point: | -90°C |
Boiling Point: | 136.548 °C at 760 mmHg |
Flash Point: | 31.667 °C |
Solubility: | Slightly soluble in water |
Hazard Symbols: | Xn |
Risk Codes: | 10-20-36 |
Safety: | 26 |
Transport Information: | UN 1989 3/PG 3 |
PSA: | 17.07000 |
LogP: | 1.54160 |
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This chemical is called 2-Pentenal, 2-methyl-,(2E)-, and its systematic name is (2E)-2-methylpent-2-enal. With the molecular formula of C6H10O, its molecular weight is 98.14. The CAS registry number of this chemical is 14250-96-5.
Other characteristics of the 2-Pentenal, 2-methyl-,(2E)- can be summarised as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.63; (6)ACD/BCF (pH 7.4): 9.63; (7)ACD/KOC (pH 5.5): 176.03; (8)ACD/KOC (pH 7.4): 176.03; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 29.93 cm3; (15)Molar Volume: 118.3 cm3; (16)Polarizability: 11.86×10-24cm3; (17)Surface Tension: 24.4 dyne/cm; (18)Density: 0.829 g/cm3; (19)Flash Point: 31.7 °C; (20)Enthalpy of Vaporization: 37.39 kJ/mol; (21)Boiling Point: 136.5 °C at 760 mmHg; (22)Vapour Pressure: 7.34 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C/C(=C/CC)C
2.InChI: InChI=1/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+
3.InChIKey: IDEYZABHVQLHAF-GQCTYLIABM