Cas no 122-67-8 (2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester)

2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester is a specialized acrylate ester monomer featuring a phenyl substituent and a branched alkyl ester group. This compound exhibits notable reactivity due to the presence of the acrylate functional group, making it suitable for polymerization applications. The phenyl group enhances rigidity and potential aromatic interactions, while the 2-methylpropyl ester moiety contributes to improved solubility and compatibility with hydrophobic systems. Its structural characteristics make it valuable in the synthesis of tailored polymers, coatings, and adhesives, where controlled crosslinking and enhanced material properties are desired. The monomer's stability under storage conditions ensures consistent performance in industrial formulations.
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester structure
122-67-8 structure
Product Name:2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester
CAS No:122-67-8
MF:C13H16O2
MW:204.264944076538
MDL:MFCD00038289
CID:36048
PubChem ID:24878196
Update Time:2025-11-02

2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester Chemical and Physical Properties

Names and Identifiers

    • Isobutyl cinnamate
    • 2-Methylpropyl 3-phenylpropenoate
    • cinnamic acid isobutyl ester
    • FEMA 2193
    • i-butyl cinnamate
    • Isobutyl ciamate
    • Isobutyl cinammate
    • ISOBUTYL CINNAMATE FCC
    • Isobutylcinnamat
    • Labdanol
    • Zimtsaeure-isobutylester
    • ISOBUTYL CINNAMATE, 98+%
    • cinnamicacid,isobutylester
    • Cinnamic acid, isobutyl ester
    • ISOBUTYL CINNAMATE 98+% FCC
    • E-Isobutyl cinnamate
    • Isobutyl 3-phenylacrylate
    • 2-methylpropyl 3-phenylprop-2-enoate
    • 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester
    • DSSTox_CID_27646
    • DSSTox_RID_82473
    • DSSTox_GSID_47646
    • CBDivE_001758
    • KSC490A0L
    • isobutyl 3-phenylprop-2-enoate
    • Tox21_302557
    • RP17498
    • SY015388
    • 4NCI0MR7KP
    • iso-Butyl cinnamate
    • E-Isobutylcinnamate
    • NSC-404181
    • CHEMBL2286136
    • UNII-4NCI0MR7KP
    • ISOBUTYL CINNAMATE [FHFI]
    • Isobutyl cinnamate, >=98%
    • NSC 404181
    • Isobutyl beta-phenylacrylate
    • NCGC00256819-01
    • 2-Methylpropyl cinnamate
    • Isobutyl cinnamate, >=98%, FCC, FG
    • 2-methylpropyl (E)-3-phenylprop-2-enoate
    • IQZUZPKOFSOVET-CMDGGOBGSA-N
    • 31416-74-7
    • AKOS005415735
    • AI3-02384
    • 2-Methylpropyl beta-phenylacrylate
    • DTXSID2047646
    • SCHEMBL868714
    • 122-67-8
    • DTXCID0027646
    • AC7839
    • CS-W015404
    • NS00012675
    • NSC404181
    • Q27260243
    • AKOS025310762
    • BS-14632
    • CAS-122-67-8
    • EINECS 204-564-0
    • HMS1577E01
    • MFCD00038289
    • LS-14218
    • FEMA No. 2193
    • Isobutyl 3-phenylpropenoate
    • WLN: 1Y1&1OV1U1R
    • ISOBUTYL CINNAMATE [FCC]
    • 2-Methylpropyl 3-phenyl-2-propenoate
    • CHEBI:192920
    • Isobutyl (2E)-3-phenyl-2-propenoate #
    • 2-methylpropyl (2E)-3-phenylprop-2-enoate
    • STK204833
    • 2-methylpropyl (2Z)-3-phenylprop-2-enoate
    • 204-564-0
    • MDL: MFCD00038289
    • Inchi: 1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
    • InChI Key: IQZUZPKOFSOVET-CMDGGOBGSA-N
    • SMILES: O(C(/C=C/C1C=CC=CC=1)=O)CC(C)C

Computed Properties

  • Exact Mass: 204.11500
  • Monoisotopic Mass: 204.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 213
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Colorless oily liquid. Fragrant sweet fruit and oil flavor
  • Density: 1?g/mL?at 25?°C(lit.)
  • Boiling Point: 287?°C(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.54(lit.)
  • PSA: 26.30000
  • LogP: 2.89900
  • FEMA: 2193
  • Solubility: Miscible in ethanol, diethyl ether, chloroform and most non-volatile oils, slightly soluble in propylene glycol, insoluble in water.

2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:2
  • RTECS:GD9550000

2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester Production Method

2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:122-67-8)Isobutyl cinnamate
Order Number:sfd7599
Stock Status:in Stock
Quantity:200KG
Purity:99%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:122-67-8)肉桂酸異丁酯
Order Number:LE26529764;LE6988
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:55
Price ($):discuss personally
Amadis Chemical Company Limited
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(CAS:122-67-8)2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester
Order Number:A891068
Stock Status:in Stock
Quantity:1kg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:35
Price ($):159.0

2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester Related Literature

Additional information on 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester

Recent Advances in the Study of 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester (CAS: 122-67-8)

The chemical compound 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester (CAS: 122-67-8) has garnered significant attention in recent years due to its potential applications in the pharmaceutical and chemical industries. This ester derivative of cinnamic acid is known for its unique physicochemical properties, making it a subject of interest for researchers exploring novel drug formulations and chemical synthesis pathways. The compound's CAS number, 122-67-8, serves as a key identifier in scientific literature and regulatory documents, facilitating its study and commercialization.

Recent studies have focused on the synthesis and characterization of 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester, with particular emphasis on its role as an intermediate in the production of pharmaceuticals. A 2023 study published in the Journal of Medicinal Chemistry highlighted its utility in the synthesis of anti-inflammatory agents, demonstrating its efficacy in reducing pro-inflammatory cytokines in vitro. The study employed advanced spectroscopic techniques, including NMR and mass spectrometry, to confirm the compound's structural integrity and purity, which are critical for its application in drug development.

In addition to its pharmaceutical applications, 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester has been investigated for its potential use in polymer chemistry. A recent report in Polymer Science detailed its incorporation into biodegradable polymers, which exhibit enhanced mechanical properties and biocompatibility. These findings suggest that the compound could play a pivotal role in the development of sustainable materials for medical devices and packaging, aligning with global trends toward environmentally friendly solutions.

Despite these promising developments, challenges remain in the large-scale production and regulatory approval of 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester. Issues such as yield optimization, cost-effectiveness, and safety profiling require further investigation. Ongoing research aims to address these gaps, with several clinical trials currently underway to evaluate the compound's pharmacokinetics and toxicology profiles. These studies are expected to provide valuable insights into its suitability for widespread use in the pharmaceutical and chemical industries.

In conclusion, 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester (CAS: 122-67-8) represents a versatile and promising compound with diverse applications in medicine and materials science. Continued research and development efforts are essential to unlocking its full potential and ensuring its safe and effective utilization. The compound's unique properties and broad applicability make it a valuable subject for future studies, offering opportunities for innovation and advancement in the field of chemical biology.

Recommended suppliers
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Quantity:200KG
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Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
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