β-Propiolactone - Moligand™,≥98%(GC) , CAS No.57-57-8

CAS: 57-57-8 Cat. No.: P639527 Molecular Weight: 72.06 EC Number: 200-340-1 PubChem CID: 2365

GRADE & PURITY Moligand™, ≥98%(GC)

Synonyms

beta-Proprolactone | HYDRACRYLIC ACID, BETA-LACTONE | Oxetanone | 1,3-Propiolactone | BETRAPRONE | .beta.-Propanoic acid lactone | .beta.-Propriolactone | PROPIOLACTONE [ORANGE BOOK] | beta-Propanoic acid lactone | BRN 0001360 | DivK1c_001003 | Hydracryli

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

beta-Proprolactone | HYDRACRYLIC ACID, BETA-LACTONE | Oxetanone | 1, 3-Propiolactone | BETRAPRONE | .beta.-Propanoic acid lactone | .beta.-Propriolactone | PROPIOLACTONE [ORANGE BOOK] | beta-Propanoic acid lactone | BRN 0001360 | DivK1c_001003 | Hydracryli

Specifications & Purity

Moligand™, ≥98%(GC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C1COC1=O
• IUPAC Name: oxetan-2-one
• InChIKey: VEZXCJBBBCKRPI-UHFFFAOYSA-N
• INCHI: 1S/C3H4O2/c4-3-1-2-5-3/h1-2H2
• Isomeric SMILES: C1COC1=O
• WGK Germany: 3
• RTECS: RQ7350000
• PubChem CID: 2365
• UN Number: 2810
• Packing Group: I
• Molecular Weight: 72.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactones
      • Subclass Beta propiolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactones
• Subclass: Beta propiolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta propiolactones
• Alternative Parents: Oxetanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Beta_propiolactone - Oxetane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as beta propiolactones. These are organic compounds containing a four-member lactone (a cyclic ester).
• External Descriptors: propan-3-olide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water and miscible in ethanol.
• Sensitivity: Heat sensitive;Moisture sensitive
• Refractive Index: 1.4131
• Flash Point(°F): 158 °F
• Flash Point(°C): 70℃
• Boil Point(°C): 162.3°C
• Melt Point(°C): -33.4°C
• Molecular Weight: 72.060 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 72.0211 Da
• Monoisotopic Mass: 72.0211 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 57.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yongheng Yin, Hui Xu, Chenyang Zhang, Weiyuan Hao, Qiying Xia, Shanmin Gao.  (2023)  Fabrication of polyamide/zwitterion functionalized mesoporous silica nanofiltration membrane with highly enhanced antifouling performance.  Journal of the Taiwan Institute of Chemical Engineers,      [PMID:] [10.1016/j.jtice.2023.104892]

2. Ting Wang, Jing Deng, Ruijin Ran, Wenqiang Shi, Yunxia Gao, Xiang Ren, Jun Cao, Ming Zhang.  (2022)  In-situ forming PEG-engineering hydrogels with anti-fouling characteristics as an artificial vitreous body.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.137486]

3. Jin Ma, Ke Kang, Yujia Zhang, Qiangying Yi, Zhongwei Gu.  (2018)  Detachable Polyzwitterion-Coated Ternary Nanoparticles Based on Peptide Dendritic Carbon Dots for Efficient Drug Delivery in Cancer Therapy.  ACS Applied Materials & Interfaces,      [PMID:30474366] [10.1021/acsami.8b17041]

4. Liping Zhu, Xiaodong Li, Changjian Song, Xiaohui Liu, Ying-Chiao Wang, Wenjun Zhang, Junfeng Fang.  (2017)  Cathode modification in planar hetero-junction perovskite solar cells through a small-molecule zwitterionic carboxylate.  ORGANIC ELECTRONICS,      [PMID:] [10.1016/j.orgel.2017.06.006]

5. Jin Ma, Ke Kang, Qiangying Yi, Zhirong Zhang, Zhongwei Gu.  (2016)  Multiple pH responsive zwitterionic micelles for stealth delivery of anticancer drugs.  RSC Advances,  6  (69): (64778-64790).  [PMID:] [10.1039/C6RA11645K]

6. Sixu Liu, Jingqi Li, Qingtian Cheng, Kangyi Duan, Zhan Wang, Shuang Yan, Shuaishuai Tian, Hairui Wang, Shaobin Wu, Xinkui Lei, Yu Yang, Ningning Ma.  (2024)  A Single-Step Method for Harvesting Influenza Viral Particles from MDCK Cell Culture Supernatant with High Yield and Effective Impurity Removal.  Viruses-Basel,  16  (5): (768).  [PMID:38793649] [10.3390/v16050768]

7. Mengdi Liang, Dulin Zuo, Feng Wang, Bei Zhang, Jingjing Tian, Xianchen Huang, Yuan Sun, Guanqiang Li, Xicheng Zhang, Gang Li.  (2025)  Drug-eluting vascular stents with surface modification of anticoagulation and pro-endothelialization.  BIOMACROMOLECULES,      [PMID:40990391] [10.1021/acs.biomac.5c01382]