Cas no 122-03-2 (4-Isopropylbenzaldehyde)

4-Isopropylbenzaldehyde is an aromatic aldehyde characterized by the presence of an isopropyl group at the para position of the benzene ring. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and fragrances. Its structure offers reactivity typical of benzaldehydes, enabling use in condensation, oxidation, and reduction reactions. The isopropyl substituent enhances steric and electronic properties, influencing selectivity in synthetic pathways. The compound is typically supplied as a clear to pale yellow liquid with a distinct aromatic odor. It is soluble in organic solvents but exhibits limited solubility in water, making it suitable for non-aqueous reaction systems. Proper handling requires storage under inert conditions to prevent oxidation.
4-Isopropylbenzaldehyde structure
4-Isopropylbenzaldehyde structure
Product Name:4-Isopropylbenzaldehyde
CAS No:122-03-2
MF:C10H12O
MW:148.201683044434
MDL:MFCD00006953
CID:36024
PubChem ID:326
Update Time:2025-08-04

4-Isopropylbenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Isopropylbenzaldehyde
    • 3.6-DIAZAOCTANE-1.8-DIAMINE
    • 4-CUMINOL
    • CUMALDEHYDE
    • CUMINAL
    • CUMINALDEHYDE
    • CUMINIC ALDEHYDE
    • FEMA 2341
    • ISOPROPYLBENZALDEHYDE
    • OIL
    • P-CUMINALDEHYD
    • P-CUMINIC ALDEHYDE
    • 4-(1-methylethyl)-benzaldehyd
    • 4-(1-Methylethyl)benzaldehyde
    • 4-(1-methylethyl)-Benzaldehyde
    • 4-(2-propyl)benzaldehyde
    • 4-iPr-Benzaldehyde
    • CUMINALDEHYDE(SG)
    • p-Isopropylbenzaldehyde
    • TECH
    • 4-propan-2-ylbenzaldehyde
    • Cumal
    • CUMINALDEHYD
    • cumicaldehyde
    • Cumic aldehyde
    • p-cumic aldehyde
    • Cuminyl aldehyde
    • Benzaldehyde, 4-(1-methylethyl)-
    • p-Isopropylbenzenecarboxaldehyde
    • Benzaldehyde, p-isopropyl-
    • P-isopropyl benzaldehyde
    • 4-(Propan-2-Yl)Benzaldehyde
    • 4-(Methylethyl)benzaldehyde
    • 4-Isopropylbenzenecarboxylate
    • 4-Isopropyl-benzaldehyde
    • FEMA No. 2341
    • 4-Isopropyl benzaldehyde
    • MDL: MFCD00006953
    • Inchi: 1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
    • InChI Key: WTWBUQJHJGUZCY-UHFFFAOYSA-N
    • SMILES: CC(C1C=CC(C=O)=CC=1)C
    • BRN: 636547

Computed Properties

  • Exact Mass: 148.08900
  • Monoisotopic Mass: 148.088815
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 121
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2.7
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: A colorless to light yellow liquid with a pungent, unpleasant smell of dead tea oil and grass.
  • Density: 0.981?g/mL?at 20?°C
    0.977?g/mL?at 25?°C(lit.)
  • Melting Point: 235-236 °C(lit.)
  • Boiling Point: 235-236?°C(lit.)
  • Flash Point: Fahrenheit: 199.4 ° f < br / > Celsius: 93 ° C < br / >
  • Refractive Index: n20/D 1.529(lit.)
    n20/D 1.531
  • Solubility: ethanol: soluble1mL/4ML, clear, colorless (70%)
  • Water Partition Coefficient: Insoluble
  • PSA: 17.07000
  • LogP: 2.62250
  • FEMA: 2341
  • Merck: 2621
  • Sensitiveness: Air Sensitive
  • Solubility: Insoluble in water, soluble in ethanol, acetone, chloroform, benzene and other organic solvents.

4-Isopropylbenzaldehyde Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H302,H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:2
  • Hazard Category Code: 22-36/37/38
  • Safety Instruction: S26-S36-S37/39
  • RTECS:CU7000000
  • Hazardous Material Identification: Xn
  • Safety Term:S26;S37/39
  • Packing Group:I; II; III
  • Toxicity:LD50 orally in rats: 1390 mg/kg (Jenner)
  • TSCA:Yes
  • Storage Condition:Store at room temperature
  • Packing Group:I; II; III
  • Risk Phrases:R22; R36/37/38

4-Isopropylbenzaldehyde Customs Data

  • HS CODE:2912210000
  • Customs Data:

    China Customs Code:

    2912299000

    Overview:

    2912299000. Other cyclic aldehydes without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Appearance of tetraformaldehyde

    Summary:

    2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

4-Isopropylbenzaldehyde Pricemore >>

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4-Isopropylbenzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Molybdenum carbide (Mo2C) Solvents: Ethanol ;  3 h, 280 °C
Reference
Supported β-Mo2C on Carbon Materials for Kraft Lignin Decomposition into Aromatic Monomers in Ethanol
Wu, Kejing; Wang, Junbo; Zhu, Yingming ; Wang, Xueting; Yang, Chunyan; et al, Industrial & Engineering Chemistry Research, 2019, 58(28), 12602-12610

4-Isopropylbenzaldehyde Raw materials

4-Isopropylbenzaldehyde Preparation Products

4-Isopropylbenzaldehyde Suppliers

Jinta Yudi Pharmaceutical Technology Co., Ltd.
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(CAS:122-03-2)p-Isopropylbenzaldehyde
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Jiangsu Xinsu New Materials Co., Ltd
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(CAS:122-03-2)
Order Number:SFD259;SDF255
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Wednesday, 11 December 2024 17:01
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Suzhou Senfeida Chemical Co., Ltd
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(CAS:122-03-2)Cuminaldehyde
Order Number:sfd20248
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:122-03-2)Cuminaldehyde;≥ 97.0%
Order Number:LE14214;LE4931
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:10
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Additional information on 4-Isopropylbenzaldehyde

Recent Advances in the Study of 4-Isopropylbenzaldehyde (CAS: 122-03-2) in Chemical Biology and Pharmaceutical Research

4-Isopropylbenzaldehyde (CAS: 122-03-2) is a key organic compound widely used in the synthesis of fragrances, pharmaceuticals, and agrochemicals. Recent studies have highlighted its potential as a versatile intermediate in medicinal chemistry, particularly in the development of novel therapeutic agents. This research briefing provides an overview of the latest findings related to 4-Isopropylbenzaldehyde, focusing on its chemical properties, biological activities, and applications in drug discovery.

One of the most significant advancements in the study of 4-Isopropylbenzaldehyde is its role as a precursor in the synthesis of bioactive molecules. Researchers have demonstrated its utility in the construction of heterocyclic compounds, which are often associated with antimicrobial, anti-inflammatory, and anticancer properties. For instance, a 2023 study published in the Journal of Medicinal Chemistry reported the successful use of 4-Isopropylbenzaldehyde in the synthesis of novel quinoline derivatives with potent antitumor activity against breast cancer cell lines.

In addition to its synthetic applications, 4-Isopropylbenzaldehyde has been investigated for its direct biological effects. Recent in vitro studies have shown that this compound exhibits moderate inhibitory activity against certain enzymes, such as cyclooxygenase-2 (COX-2), suggesting its potential as a lead compound for the development of anti-inflammatory drugs. Furthermore, its low toxicity profile, as evidenced by cytotoxicity assays, makes it an attractive candidate for further pharmacological evaluation.

The chemical stability and reactivity of 4-Isopropylbenzaldehyde have also been subjects of recent research. Advanced spectroscopic techniques, including NMR and mass spectrometry, have been employed to elucidate its structural characteristics and reaction mechanisms. These studies have provided valuable insights into the compound's behavior under various conditions, facilitating its optimization for industrial and pharmaceutical applications.

Looking ahead, the potential of 4-Isopropylbenzaldehyde in green chemistry and sustainable synthesis is gaining attention. Researchers are exploring eco-friendly catalytic systems to enhance the efficiency of its production and derivatization. Such efforts align with the growing demand for environmentally benign processes in the chemical and pharmaceutical industries.

In conclusion, 4-Isopropylbenzaldehyde (CAS: 122-03-2) continues to be a compound of significant interest in chemical biology and pharmaceutical research. Its multifaceted applications, from drug synthesis to enzyme inhibition, underscore its importance in the field. Future studies are expected to further unravel its potential, paving the way for innovative therapeutic and industrial solutions.

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