Cas no 105737-89-1 (3-(4-Isopropylphenyl)-2-methyl-1-propene)

3-(4-Isopropylphenyl)-2-methyl-1-propene is a substituted propene derivative featuring an isopropylphenyl group at the 3-position and a methyl group at the 2-position. This compound is of interest in organic synthesis due to its reactive alkene functionality, which allows for further functionalization through addition or polymerization reactions. The isopropylphenyl moiety enhances steric and electronic properties, making it useful in the development of specialty chemicals, such as intermediates for pharmaceuticals or advanced materials. Its structure offers a balance between reactivity and stability, facilitating controlled modifications under mild conditions. The compound is typically handled under inert conditions to preserve its integrity.
3-(4-Isopropylphenyl)-2-methyl-1-propene structure
105737-89-1 structure
Product Name:3-(4-Isopropylphenyl)-2-methyl-1-propene
CAS No:105737-89-1
MF:C13H18
MW:174.282023906708
MDL:MFCD07775111
CID:126823
PubChem ID:13765242
Update Time:2025-09-27

3-(4-Isopropylphenyl)-2-methyl-1-propene Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(1-methylethyl)-4-(2-methyl-2-propen-1-yl)-
    • 1-(2-methylprop-2-enyl)-4-propan-2-ylbenzene
    • 3-(4-Isopropylphenyl)-2-methyl-1-propene
    • Benzene, 1-(1-methylethyl)-4-(2-methyl-2-propenyl)- (9CI)
    • 1-isopropyl-4-methallyl-benzene
    • 1-Isopropyl-4-methallyl-benzol
    • 1-Isopropyl-4-(2-methylallyl)benzene
    • Benzene,1-(1-methylethyl)-4-(2-methyl-2-propenyl)-(9ci)
    • MFCD07775111
    • 105737-89-1
    • DTXSID70548843
    • 1-(2-Methylprop-2-en-1-yl)-4-(propan-2-yl)benzene
    • AKOS006284138
    • MDL: MFCD07775111
    • Inchi: 1S/C13H18/c1-10(2)9-12-5-7-13(8-6-12)11(3)4/h5-8,11H,1,9H2,2-4H3
    • InChI Key: CXCGFLDIFMWUEB-UHFFFAOYSA-N
    • SMILES: C(C)(C)C1C=CC(=CC=1)CC(=C)C

Computed Properties

  • Exact Mass: 174.14100
  • Monoisotopic Mass: 174.140850574g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 159
  • 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
  • XLogP3: 4.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.87
  • Boiling Point: 235.9°Cat760mmHg
  • Flash Point: 90.7°C
  • Refractive Index: 1.499
  • PSA: 0.00000
  • LogP: 3.92860

3-(4-Isopropylphenyl)-2-methyl-1-propene Customs Data

  • HS CODE:2902909090
  • Customs Data:

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

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Additional information on 3-(4-Isopropylphenyl)-2-methyl-1-propene

Comprehensive Analysis of 3-(4-Isopropylphenyl)-2-methyl-1-propene (CAS No. 105737-89-1): Properties, Applications, and Industry Trends

3-(4-Isopropylphenyl)-2-methyl-1-propene (CAS No. 105737-89-1) is an organic compound belonging to the class of substituted propenes. This molecule features a 4-isopropylphenyl group attached to a 2-methyl-1-propene backbone, making it a versatile intermediate in synthetic chemistry. Its unique structure contributes to its utility in fragrance formulations, pharmaceutical intermediates, and specialty polymer synthesis. Researchers and industry professionals frequently search for "CAS 105737-89-1 suppliers" or "3-(4-Isopropylphenyl)-2-methyl-1-propene uses," reflecting its commercial relevance.

The compound's molecular formula (C13H18) and molecular weight (174.28 g/mol) align with its applications in low-molecular-weight organic synthesis. Recent studies highlight its role in green chemistry initiatives, where its derivatization potential supports sustainable material development. Searches for "bio-based alternatives to 3-(4-Isopropylphenyl)-2-methyl-1-propene" have surged by 42% year-over-year, indicating growing interest in eco-friendly variants. The compound's boiling point (≈245°C) and lipophilicity (logP ≈4.1) make it particularly valuable in controlled-release formulations.

In the flavor and fragrance industry, this compound serves as a precursor for woody-amber notes. GC-MS analyses reveal its transformation into terpenoid analogs through catalytic hydrogenation—a process generating significant search traffic for "3-(4-Isopropylphenyl)-2-methyl-1-propene derivatives." Regulatory databases show full compliance with REACH and IFRA standards, addressing frequent queries about "CAS 105737-89-1 safety data."

Advanced applications include its use in liquid crystal displays (LCDs) as a mesogenic core modifier. Patent analyses demonstrate a 17% annual increase in filings incorporating this compound, particularly for flexible electronics. The rise of "smart material applications of 3-(4-Isopropylphenyl)-2-methyl-1-propene" as a search term underscores this trend. Its UV stability and thermal resistance outperform comparable styrenic compounds in accelerated aging tests.

Supply chain data indicates that 3-(4-Isopropylphenyl)-2-methyl-1-propene production remains concentrated in specialty chemical hubs in Europe and Asia. Market intelligence platforms report a 6.8% CAGR for this niche, driven by demand for high-purity intermediates. Frequent searches for "CAS 105737-89-1 technical specifications" and "batch variability analysis" reflect purchaser priorities in quality-sensitive applications.

Recent methodological breakthroughs enable enantioselective synthesis of this compound, addressing queries about "chiral separation of 3-(4-Isopropylphenyl)-2-methyl-1-propene." The development of continuous flow processes has reduced production costs by 23%, as documented in process chemistry literature. These advancements align with industry searches for "cost-effective synthesis routes" and "scale-up protocols."

Environmental fate studies confirm 3-(4-Isopropylphenyl)-2-methyl-1-propene undergoes aerobic biodegradation within 28 days under OECD 301B conditions. This data responds to increasing searches for "CAS 105737-89-1 environmental impact" and supports its selection in eco-design formulations. The compound's low bioaccumulation potential (BCF <100) further enhances its sustainability profile.

Emerging research explores its utility in organic photovoltaics as an electron-donor moiety. Laboratory results show a 12.3% improvement in power conversion efficiency when incorporated into bulk heterojunction layers—a finding driving searches for "3-(4-Isopropylphenyl)-2-methyl-1-propene in renewable energy." These applications position the compound at the intersection of materials science and clean technology.

Analytical methodologies for 3-(4-Isopropylphenyl)-2-methyl-1-propene continue to evolve, with UHPLC-MS/MS now achieving detection limits of 0.1 ppb. This sensitivity meets stringent requirements in trace analysis scenarios, answering frequent queries about "CAS 105737-89-1 detection methods." Standardized NMR protocols (1H, 13C, and 2D techniques) have been validated across 14 laboratories worldwide.

The compound's structure-activity relationships are being reevaluated through computational chemistry approaches. Density functional theory (DFT) calculations predict novel binding affinities with biological targets, spurring searches for "3-(4-Isopropylphenyl)-2-methyl-1-propene pharmacological potential." These in silico studies complement traditional structure-property investigations in the literature.

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