Cas no 122-67-8 (2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester)
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:
2916399090Overview:
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%
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | I811614-500g |
Isobutyl cinnamate |
122-67-8 | 99% | 500g |
811.00 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W219304-SAMPLE-K |
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester |
122-67-8 | ≥98%, FCC, FG | 587.6 | 2021-05-17 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W219304-100G-K |
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester |
122-67-8 | ≥98%, FCC, FG | 100G |
1264.78 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W219304-1KG-K |
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester |
122-67-8 | ≥98%, FCC, FG | 1KG |
2838.42 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | W219304-10KG-K |
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester |
122-67-8 | ≥98%, FCC, FG | 10KG |
17089.05 | 2021-05-17 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | I28150-25g |
Isobutyl cinnamate |
122-67-8 | 98% | 25g |
¥60.0 | 2023-09-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | I28150-100g |
Isobutyl cinnamate |
122-67-8 | 98% | 100g |
¥170.0 | 2023-09-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | I28150-500g |
Isobutyl cinnamate |
122-67-8 | 98% | 500g |
¥558.0 | 2023-09-07 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R012077-100g |
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester |
122-67-8 | 99% | 100g |
¥131 | 2024-05-26 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-AU611-25g |
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester |
122-67-8 | 99% | 25g |
¥99.0 | 2022-02-28 |
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester Suppliers
2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester Related Literature
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Yixin Yang,Peige Qin,Xiaoting Zhang,Jiahua Niu,Shufang Tian,Minghua Lu,Jinhua Zhu,Zongwei Cai Anal. Methods 2018 10 322
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Yixin Yang,Peige Qin,Xiaoting Zhang,Jiahua Niu,Shufang Tian,Minghua Lu,Jinhua Zhu,Zongwei Cai Anal. Methods 2018 10 322
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Kirridharhapany T. Radhakrishnapany,Chee Yan Wong,Fang Khai Tan,Jia Wen Chong,Raymond R. Tan,Kathleen B. Aviso,Jose Isagani B. Janairo,Nishanth G. Chemmangattuvalappil Mol. Syst. Des. Eng. 2020 5 1391
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D. N. Kirk,M. A. Wilson J. Chem. Soc. C 1971 414
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5. Umpolung of o-phenylenediamines by conversion into isobenzimidazole. An expedient approach to heterocycles with nucleophilic substituentsKathryn E. Davies,George E. Domany,Mahmoud Farhat,John A. L. Herbert,Alan M. Jefferson,Maria de los A. Guttierrez Martin,Hans Suschitzky J. Chem. Soc. Perkin Trans. 1 1984 2465
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters
- Natural Products and Extracts Flavors and Fragrances Essential Oils
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
- Solvents and Organic Chemicals Organic Compounds Hydrocarbons
- Natural Products and Extracts Flavors and Fragrances
- Pharmaceutical and Biochemical Products Pharmaceutical Active Ingredients
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.
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