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| CAS No.: | 18962-07-7 |
|---|---|
| Name: | 4-ISOBUTOXY-BENZALDEHYDE |
| Article Data: | 18 |
| Molecular Structure: | |
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|
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| Formula: | C11H14O2 |
| Molecular Weight: | 178.231 |
| Synonyms: | Benzaldehyde,p-isobutoxy- (6CI,8CI);4-(2-Methylpropoxy)benzaldehyde;4-(2-Methylpropyloxy)benzaldehyde;NSC 68517;p-Isobutoxybenzaldehyde; |
| Density: | 1.018 g/cm3 |
| Melting Point: | 155℃ |
| Boiling Point: | 280.812 °C at 760 mmHg |
| Flash Point: | 118.896 °C |
| Appearance: | Light yellow powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 26.30000 |
| LogP: | 2.53390 |
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Specification
The Benzaldehyde,4-(2-methylpropoxy)-, with the CAS registry number 18962-07-7, is also known as 4-Isobutoxybenzaldehyde. This chemical's molecular formula is C11H14O2 and molecular weight is 178.22766. Its IUPAC name is called 4-(2-methylpropoxy)benzaldehyde. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzaldehyde,4-(2-methylpropoxy)-: (1)ACD/LogP: 3.11; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.523; (5)Molar Refractivity: 53.54 cm3; (6)Molar Volume: 174.9 cm3; (7)Surface Tension: 35 dyne/cm; (8)Density: 1.018 g/cm3; (9)Flash Point: 118.9 °C; (10)Enthalpy of Vaporization: 51.96 kJ/mol; (11)Boiling Point: 280.8 °C at 760 mmHg; (12)Vapour Pressure: 0.0037 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)COC1=CC=C(C=C1)C=O
(2)InChI: InChI=1S/C11H14O2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-7,9H,8H2,1-2H3
(3)InChIKey: PWASYRSZCSTUIW-UHFFFAOYSA-N