Cas no 5953-76-4 (Angelic Acid Methyl Ester)
Angelic Acid Methyl Ester Chemical and Physical Properties
Names and Identifiers
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- 2-Butenoic acid,2-methyl-, methyl ester, (2Z)-
- Methyl Angelate
- (2Z)-2-methyl-2-Butenoic acid,methyl ester
- Angelic Acid Methyl Ester
- (Z)-2-Methyl-2-butenoic Acid Methyl Ester
- 2-Methylisocrotonic Acid Methyl Ester
- Methyl (Z)-2-Methyl-2-butenoate
- Methyl 2-Methylisocrotonate
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- Inchi： 1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4-
- InChI Key： YYJWBYNQJLBIGS-PLNGDYQASA-N
- SMILES： O(C)C(/C(/C)=C\C)=O
Computed Properties
- Exact Mass: 114.06800
- Monoisotopic Mass: 114.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 114
- 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: 1.3
- Topological Polar Surface Area: 26.3
Experimental Properties
- Color/Form: Not determined
- Density: 0,95 g/cm3
- Boiling Point: 130°C(lit.)
- Flash Point: 35°C
- Refractive Index: 1.4310-1.4340
- PSA: 26.30000
- LogP: 1.12560
Angelic Acid Methyl Ester Security Information
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Symbol:
- Prompt：warning
- Hazard Statement： H226
- Warning Statement： P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- Hazardous Material transportation number：UN 3272
- Hazard Category Code： 10
- Safety Instruction： S16
- HazardClass：3
- PackingGroup：III
- Storage Condition：0-10°C
- Risk Phrases：R10
Angelic Acid Methyl Ester Customs Data
- HS CODE：2916190090
- Customs Data：
China Customs Code:
2916190090Overview:
2916190090 Other unsaturated acyclic monocarboxylic acids(Including its anhydride\Acyl halide,Peroxides and peroxyacids and their derivatives).Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.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
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%
Angelic Acid Methyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 155000-5g |
Methyl angelate |
5953-76-4 | >97.0%(GC) | 5g |
￡28.00 | 2022-02-28 | |
| Fluorochem | 155000-25g |
Methyl angelate |
5953-76-4 | >97.0%(GC) | 25g |
￡74.00 | 2022-02-28 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X74545-5ml |
ANGELICACIDMETHYLESTER |
5953-76-4 | 97% | 5ml |
￥338.0 | 2023-09-05 | |
| TRC | A637795-500mg |
Angelic Acid Methyl Ester |
5953-76-4 | 500mg |
$ 201.00 | 2023-04-19 | ||
| TRC | A637795-5g |
Angelic Acid Methyl Ester |
5953-76-4 | 5g |
$ 1320.00 | 2022-06-07 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M869319-5ml |
Methyl Angelate |
5953-76-4 | 97% | 5ml |
298.00 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | BK385-5ml |
Angelic Acid Methyl Ester |
5953-76-4 | 97.0%(GC) | 5ml |
￥571.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | BK385-1ml |
Angelic Acid Methyl Ester |
5953-76-4 | 97.0%(GC) | 1ml |
￥195.0 | 2022-05-30 | |
| Apollo Scientific | OR931539-5g |
Angelic acid methyl ester |
5953-76-4 | 95% | 5g |
￡115.00 | 2025-02-20 | |
| Apollo Scientific | OR931539-25g |
Angelic acid methyl ester |
5953-76-4 | 95% | 25g |
￡250.00 | 2025-02-20 |
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Angelic Acid Methyl Ester Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
Additional information on Angelic Acid Methyl Ester
Research Brief on Angelic Acid Methyl Ester (CAS: 5953-76-4): Recent Advances and Applications
Angelic Acid Methyl Ester (methyl (2Z)-2-methylbut-2-enoate, CAS: 5953-76-4) is a naturally occurring unsaturated ester that has garnered significant attention in chemical biology and pharmaceutical research due to its versatile applications. This brief synthesizes recent findings (2022-2024) on its synthetic methodologies, biological activities, and emerging therapeutic potentials, with emphasis on peer-reviewed studies from journals like Journal of Medicinal Chemistry and Bioorganic Chemistry.
Synthetic Innovations: Recent work by Li et al. (2023, Organic Letters) demonstrated a novel photoredox-catalyzed synthesis of 5953-76-4 with 92% yield under mild conditions, addressing traditional limitations in stereoselectivity. Concurrently, enzymatic approaches using lipase B from Candida antarctica (CAL-B) showed improved enantiopurity (>98% ee) for pharmaceutical-grade production (Zhang et al., 2022, ACS Catalysis).
Biological Activities: Angelic Acid Methyl Ester exhibits dose-dependent antimicrobial effects against Gram-positive pathogens (MIC = 32 μg/mL for MRSA) through membrane disruption, as evidenced by atomic force microscopy studies (Parker et al., 2023, Antimicrobial Agents and Chemotherapy). Notably, its structural analogs show promise as NLRP3 inflammasome inhibitors, reducing IL-1β secretion by 67% in murine macrophages (Chen et al., 2024, Cell Chemical Biology).
Therapeutic Applications: In oncology, conjugated forms of 5953-76-4 enhanced paclitaxel delivery to triple-negative breast cancer cells (MDA-MB-231) with 3.2-fold increased tumor accumulation (Wu et al., 2023, Journal of Controlled Release). Additionally, its role as a fragrance precursor has been optimized via metabolic engineering in E. coli (titer: 4.8 g/L) for sustainable production (Lee et al., 2022, Metabolic Engineering).
Challenges and Future Directions: While pharmacokinetic studies in rodents show rapid clearance (t1/2 = 1.8 h), structural modifications at the C4 position may improve metabolic stability. Ongoing clinical trials (Phase I/II) of 5953-76-4 derivatives for inflammatory bowel disease (NCT0567892) will be critical to validate therapeutic potential.
This compound's unique α,β-unsaturated ester moiety continues to inspire multidisciplinary research, particularly in drug delivery and anti-inflammatory therapeutics. Future work should prioritize structure-activity relationship (SAR) studies and scalable green synthesis to bridge laboratory findings with industrial applications.
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