Catalog Number
ACM123115-2
Product Name
P-Anisaldehyde
Category
Acetalization Reagents
Description
Liquid;Liquid;Liquid;colourless to slightly yellow liquid with a Intensely sweet, floral odour
Synonyms
Anisaldehyde;Benzaldehyde, 4-methoxy-;FEMA No. 2670
IUPAC Name
4-Methoxybenzaldehyde
Canonical SMILES
COC1=CC=C(C=C1)C=O
InChI
ZRSNZINYAWTAHE-UHFFFAOYSA-N
InChI Key
InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
Boiling Point
248 °C(lit.)
Flash Point
116 °C (241 °F) - closed cup
Solubility
0.03 M;4.29 mg/mL at 25 °C;In water, 4.29X10+3 mg/L at 25 °C;Insoluble in water;Miscible with ethanol, diethyl ether; very soluble in acetone, chloroform; soluble in benzene.;Soluble in 5 volumes of 5% alcohol;4.29 mg/mL at 25 °C;poorly soluble in water, glycols, glycerol; soluble in organic solvents, oils;miscible at room temperature (in ethanol)
Color/Form
Oily liquid;Colorless to pale yellow liquid
Covalently-Bonded Unit Count
1
Decomposition
Hazardous decomposition products formed under fire conditions: Carbon oxides;When heated to decomposition it emits acrid smoke and irritating fumes.
EC Number
204-602-6;256-891-3
Exact Mass
136.052429g/mol
LogP
1.76 (LogP);1.76;log Kow = 1.76;1.76
Monoisotopic Mass
136.052429g/mol
Odor
Hawthorn odor;Odor resembles that of coumarin;Sweet powdery, spicy creamy, fruity, vanilla and hay-like. Coumarin, almond, anisic with berry nuances.
Other Experimental
Assay: 97.5% min (97-99%); congealing point: -1 °C min; acid value: 6 max;Conversion factors: 1 mg/L = 180 ppm; 1 ppm = 5.6 mg/cu m;IR: 329 (Coblentz Society Spectral Collection) /o-Anisaldehyde/;UV: 3456 (Sadtler Research Laboratories Spectral Collection) /o-Anisaldehyde/;1H NMR: 1895 (Sadtler Research Laboratories Spectral Collection) /o-Anisaldehyde/;MASS: 977625 (NIST/EPA/MSDC Mass Spectral Database, 1990 version) /o-Anisaldehyde/;UV: 16956 (Sadtler Research Laboratories Spectral Collection) /m-Anisaldehyde/;MASS: 77626 (NIST/EPA/MSDC Mass Spectral Database, 1990 version); 694 (Atlas of Mass Spectral Data, John Wiley & Sons, New York) /m-Anisaldehyde/;IR: 17084 (Sadtler Research Laboratories IR grating collection) /m-Anisaldehyde/;1H NMR: 8849 (Sadtler Research Laboratories Spectral Collection) /m-Anisaldehyde/;Volatile in steam;Henry's Law constant = 1.4X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.48X10-11 cu cm/mole-sec at 25 °C (est)
pKa
pKa 15.96 (25 °,hydrate, 1% EtOH)
Refractive Index
Index of refraction = 1.5730 at 20 °C;Index of refraction: 1.5730 at 20 °C/D;1.568-1.574
Stability
Stable under recommended storage conditions.
Vapor Density
4.7 (Air = 1)
Vapor Pressure
0.03 mmHg;3.29X10-2 mm Hg at 25 °C (extrapolated)
Viscosity
Dynamic viscosity = 4.22 mPa s at 25 °C 2017
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