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)
• Application: P-Anisaldehyde, also known as anisaldehyde or 4-methoxybenzaldehyde, is widely used in the fragrance and flavor industries due to its characteristic sweet, mimosa, and hawthorn-like odor. This colorless to slightly yellowish liquid plays a crucial role as an intermediate in the synthesis of organic compounds, including perfumes, pharmaceuticals like antihistamines, and various agrochemicals, dyes, and plastic additives. Its versatility extends to its use in thin layer chromatography staining, providing distinct identification of different compounds. The compound is notably utilized as a fragrance base for scents such as hawthorn, sunflower, and lilac, and as a blending spice for scents resembling freshly cut grass and silver acacia flowers. In these roles, P-anisaldehyde succeeds in enhancing and modifying fragrances like lily of the valley and osmanthus, while also functioning as an insect repellent and a component in the preparation of products with specific flavor thresholds.
• 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.