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Name |
4-Butoxybenzaldehyde |
EINECS | 227-247-9 |
CAS No. | 5736-88-9 | Density | 1.02 g/cm3 |
PSA | 26.30000 | LogP | 2.67800 |
Solubility | N/A | Melting Point |
184 °C |
Formula | C11H14O2 | Boiling Point | 287.7 °C at 760 mmHg |
Molecular Weight | 178.231 | Flash Point | 123.8 °C |
Transport Information | N/A | Appearance | clear orange-red liquid. |
Safety | 26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzaldehyde,p-butoxy- (6CI,7CI,8CI);4-Butoxybenzaldehyde;NSC 508762;p-Butoxybenzaldehyde; |
Article Data | 118 |
The CAS register number of 4-Butoxybenzaldehyde is 5736-88-9. It also can be called as p-Butoxybenzaldehyde and the IUPAC name about this chemical is 4-butoxybenzaldehyde. The molecular formula about this chemical is C11H14O2 and the molecular weight is 178.23. It belongs to the following product categories which include Aldehydes; blocks; Carboxes; IndolesOxindoles; Aromatic Aldehydes & Derivatives (substituted); Aliphatics; Pyrazines, Pyrimidines & Pyridazines; Pyrazoles & Triazoles; Pyrroles & Indoles; Pyrrolidines; Furans, Benzofurans & Dihydrobenzofurans; Imidazoles & Benzimidazoles; Oxazoles, Isoxazoles & Benzoxazoles; Phenyls & Phenyl-Het; Benzaldehyde (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Pyrroles & Indoles; Pyrazoles & Triazoles; Imidazoles & Benzimidazoles; Phenyls & Phenyl-Het; Oxazoles, Isoxazoles & Benzoxazoles; Pyrazines, Pyrimidines & Pyridazines; Pyridines; Furans, Benzofurans & Dihydrobenzofurans; Fused Ring Systems; C10 to C21; Carbonyl Compounds and so on.
Physical properties about 4-Butoxybenzaldehyde are: (1)ACD/LogP: 3.29; (2)ACD/LogD (pH 5.5): 3.29; (3)ACD/LogD (pH 7.4): 3.29; (4)ACD/BCF (pH 5.5): 187.73; (5)ACD/BCF (pH 7.4): 187.73; (6)ACD/KOC (pH 5.5): 1475.74; (7)ACD/KOC (pH 7.4): 1475.74; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 53.58 cm3; (13)Molar Volume: 174.6 cm3; (14)Polarizability: 21.24x10-24cm3; (15)Surface Tension: 36.2 dyne/cm; (16)Enthalpy of Vaporization: 52.68 kJ/mol; (17)Boiling Point: 287.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00245 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-hydroxy-benzaldehyde and 1-bromo-butane. This reaction will need reagent K2CO3.
Uses of 4-Butoxybenzaldehyde: it can be used to produce 4-butoxy-N-(4-butoxy-benzyliden)-aniline with 4-butoxy-aniline. This reaction will need reagent ethanol.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(OCCCC)cc1
(2)InChI: InChI=1/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3
(3)InChIKey: XHWMNHADTZZHGI-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3
(5)Std. InChIKey: XHWMNHADTZZHGI-UHFFFAOYSA-N