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Basic Description
| Synonyms | NSC 65442 | NSC65442 | NSC-65442 | C02240 | InChI=1/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H | .delta.-Valerolactone | CHEBI:16545 | Tetrahydro-2-pyranone | EC 208-807-1 | SY018264 | Pentanoic acid, 5-hydroxy-, .delta.-lactone | WLN: T6OVTJ | DTXCID4024438 | AKOS009 |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactones
- Subclass Delta valerolactones
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Class
Lactones
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Lactones |
| Subclass | Delta valerolactones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Delta valerolactones |
| Alternative Parents | Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Delta_valerolactone - Delta valerolactone - Oxane - 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 delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. |
| External Descriptors | a small molecule |
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Associated Targets(Human)
CA2
Tclin
Carbonic anhydrase II (17698 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PON1
Tbio
Serum paraoxonase/arylesterase 1 (96 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CA1
Tclin
Carbonic anhydrase I (13240 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | oxan-2-one |
|---|---|
| INCHI | InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2 |
| InChIKey | OZJPLYNZGCXSJM-UHFFFAOYSA-N |
| Smiles | C1CCOC(=O)C1 |
| Isomeric SMILES | C1CCOC(=O)C1 |
| WGK Germany | 3 |
| PubChem CID | 10953 |
| Molecular Weight | 100.12 |
| Beilstein | 106436 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Moisture Sensitive,Heat Sensitive |
|---|---|
| Refractive Index | 1.456-1.459 |
| Flash Point(°F) | 233.6 °F |
| Flash Point(°C) | 112℃ |
| Boil Point(°C) | 230-60°C |
| Melt Point(°C) | -13°C |
| Molecular Weight | 100.120 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 100.052 Da |
| Monoisotopic Mass | 100.052 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 78.100 |
| 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 |
Citations of This Product
| 1. Hongxin Yao, Yongkang Zuo, Yiye Song, Wenyan Huang, Qimin Jiang, Xiaoqiang Xue, Li Jiang, Jinbao Xu, Hongjun Yang, Bibiao Jiang. (2022) Precisely Tailoring and Renewing Polymers: An Efficient Strategy for Polymer Recycling. MACROMOLECULAR CHEMISTRY AND PHYSICS, 223 (19): (2200117). |
| 2. Yang Chen, Jie Zhang, Wenhao Xiao, Anfu Chen, Zhixian Dong, Jinbao Xu, Wenhua Xu, Caihong Lei. (2021) Reinvestigation of the ring-opening polymerization of ε-caprolactone with 1,8-diazacyclo[5.4.0]undec-7-ene organocatalyst in bulk. EUROPEAN POLYMER JOURNAL, 161 (110861). |
| 3. Jie Zhang, Siheng Zhang, Jianda Niu, Zhixian Dong, Jinbao Xu, Tingting Cui, Caihong Lei. (2025) Direct synthesis of α-Carboxyl-ω-Hydroxyl polymers by catalyst and initiator in the same molecule. EUROPEAN POLYMER JOURNAL, 223 (113656). |
| 4. Xingyilong Zhang, Houfang Lu, Kejing Wu, Yingying Liu, Yingming Zhu, Bin Liang. (2024) Hierarchical porous carbon-based solid acid as a high-performance catalyst for conversion of fructose to 5-hydroxymethylfurfural. FUEL, 363 (130835). |
| 5. ZiXuan Wang, Hao Zheng, Zhengchun Cai, Haian Xia. (2024) Ring-opening copolymerization of ε-caprolactone and δ-valerolactone to cyclic polyesters by a bimolecular system. JOURNAL OF APPLIED POLYMER SCIENCE, 142 (2): (e56337). |
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