P-Anisaldehyde

• CAS: 123-11-5
• Catalog Number: ACM123115-2
• Category: Acetalization Reagents
• Molecular Weight: 136.15
• Molecular Formula: C8H8O2
• 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.)
• Melting Point: -1 °C
• Flash Point: 116 °C (241 °F) - closed cup
• Density: 1.121g/ml
• 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)
• Active Content: 95%
• Color/Form: Oily liquid;Colorless to pale yellow liquid
• Complexity: 104
• 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
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 10
• LogP: 1.76 (LogP);1.76;log Kow = 1.76;1.76
• Monoisotopic Mass: 136.052429g/mol
• NSC Number: 5590
• 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)
• Physical State: Liquid
• 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
• Rotatable Bond Count: 2
• Stability: Stable under recommended storage conditions.
• UNII: 9PA5V6656V
• 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
• XLogP3: 1.8

Custom Q&A

What is the IUPAC name of P-Anisaldehyde?

The IUPAC name of P-Anisaldehyde is 4-Methoxybenzaldehyde.

What is the molecular weight of P-Anisaldehyde?

The molecular weight of P-Anisaldehyde is 136.15.

What is the molecular formula of P-Anisaldehyde?

The molecular formula of P-Anisaldehyde is C8H8O2.

What is the boiling point of P-Anisaldehyde?

The boiling point of P-Anisaldehyde is 248 °C.

What is the melting point of P-Anisaldehyde?

The melting point of P-Anisaldehyde is -1 °C.

What is the flash point of P-Anisaldehyde?

The flash point of P-Anisaldehyde is 116 °C (241 °F) - closed cup.

What is the purity of P-Anisaldehyde?

The purity of P-Anisaldehyde is 98%.

What is the density of P-Anisaldehyde?

The density of P-Anisaldehyde is 1.121g/ml.

What are some synonyms of P-Anisaldehyde?

Some synonyms of P-Anisaldehyde are Anisaldehyde, Benzaldehyde, 4-methoxy-, and FEMA No. 2670.

What are the typical applications of P-Anisaldehyde?

The typical applications of P-Anisaldehyde include its use in perfumes.

Synthetic Use

Downstream Synthesis Route 1

• 2033-24-1
• 123-11-5

• 23432-39-5

Reference: [1] Journal of Organic Chemistry, 2007, vol. 72, # 6, p. 2232 - 2235

Downstream Synthesis Route 2

• 123-11-5

• 80-73-9

Reference: [1] Journal of the American Chemical Society, 2001, vol. 123, # 31, p. 7705 - 7706

Downstream Synthesis Route 3

• 123-11-5

• 52986-70-6

Reference: [1] Journal of Organic Chemistry, 1983, vol. 48, # 19, p. 3344 - 3346

Downstream Synthesis Route 4

• 473-34-7
• 123-11-5

• 4903-09-7

Reference: [1]Journal of the Chemical Society,1956,p. 1417,1418, 1421

Downstream Synthesis Route 5

• 507-40-4
• 123-11-5

• 4903-09-7

Reference: [1]Journal of the American Chemical Society,1951,vol. 73,p. 702

* For details of the synthesis route, please refer to the original source to ensure accuracy.