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CAS No.: | 18986-09-9 |
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Name: | 4-(3-METHYL-BUTOXY)-BENZALDEHYDE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C12H16O2 |
Molecular Weight: | 192.258 |
Synonyms: | Benzaldehyde,p-(isopentyloxy)- (6CI,8CI);4-(3-Methylbutoxy)benzaldehyde;NSC 69106;p-(Isopentyloxy)benzaldehyde; |
Density: | 1.003 g/cm3 |
Boiling Point: | 297.2 °C at 760 mmHg |
Flash Point: | 124.5 °C |
PSA: | 26.30000 |
LogP: | 2.92400 |
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The Benzaldehyde,4-(3-methylbutoxy)-, with the CAS registry number 18986-09-9, is also known as Benzaldehyde,p-(isopentyloxy)- (6CI,8CI) and p-(Isopentyloxy)benzaldehyde. This chemical's molecular formula is C12H16O2 and molecular weight is 192.2542. What's more, both its IUPAC name and systematic name are the same which is called 4-(3-Methylbutoxy)benzaldehyde.
Physical properties about Benzaldehyde,4-(3-methylbutoxy)- are: (1) ACD/LogP: 3.64; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 2; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 5; (6) Polar Surface Area: 26.3 Å2; (7) Index of Refraction: 1.519; (8) Molar Refractivity: 58.17 cm3; (9) Molar Volume: 191.5 cm3; (10) Polarizability: 23.06×10-24 cm3; (11) Surface Tension: 34.9 dyne/cm; (12) Density: 1.003 g/cm3; (13) Flash Point: 124.5 °C; (14) Enthalpy of Vaporization: 53.7 kJ/mol; (15) Boiling Point: 297.2 °C at 760 mmHg; (16) Vapour Pressure: 0.00137 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(OCCC(C)C)cc1
(2) InChI: InChI=1/C12H16O2/c1-10(2)7-8-14-12-5-3-11(9-13)4-6-12/h3-6,9-10H,7-8H2,1-2H3
(3) InChIKey: WWBHAIFPHGGVCW-UHFFFAOYAF