δ-Valerolactone (DVL) - ≥98% , CAS No.542-28-9

CAS: 542-28-9 Cat. No.: V100560 Peso molecular: 100.12 Beilstein Registry Number: 106436 Número EC: 208-807-1 PubChem CID: 10953

GRADE & PURITY ≥98%

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181232
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181232
• Sonrisas canónicas: C1CCOC(=O)C1
• IUPAC Name: oxan-2-one
• InChIKey: OZJPLYNZGCXSJM-UHFFFAOYSA-N
• INCHI: 1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
• Isómeros SMILES: C1CCOC(=O)C1
• WGK Alemania: 3
• PubChem CID: 10953
• Peso molecular: 100.12
• Beilstein: 106436

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactones
      • Subclass Delta valerolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

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

Objetivos asociados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

PON1 Tbio Serum paraoxonase/arylesterase 1 (96 Activities)

Discover Target: PON1

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Completely miscible; Miscible with Ether,Ethanol
• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Índice de refracción: 1.456-1.459
• Punto de inflamación (°F): 233.6 °F
• Punto de inflamación (°C): 112℃
• Punto de ebullición (°C): 230-60°C
• Punto de fusión (°C): -13°C
• Peso molecular: 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

Referencias

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).  [PMID:] [10.1002/macp.202200117]

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,      [PMID:] [10.1016/j.eurpolymj.2021.110861]

3. Jie Zhang, Siheng Zhang, Jianda Niu, Zhixian Dong, Jinbao Xu, Tingting Cui, Caihong Lei.  (2024)  Direct synthesis of α-Carboxyl-ω-Hydroxyl polymers by catalyst and initiator in the same molecule.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2024.113656]

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,      [PMID:] [10.1016/j.fuel.2023.130835]

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).  [PMID:] [10.1002/app.56337]