1,3-Dioxan-2-on - ≥98%(GC) , CAS No.2453-03-4

CAS: 2453-03-4 Cat. No.: D155394 Summenformel: C₄H₆O₃ Molekulargewicht: 102.09 Beilstein Registry Number: 19(5)4,16 EG-Nummer: 607-395-4

GRADE & PURITY ≥98%(GC)

Synonyms

Cyclic trimethylene carbonate | 1,3-Propanediol, cyclic carbonate | InChI=1/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H | Q161506 | YFHICDDUDORKJB-UHFFFAOYSA-N | DTXSID20953766 | D3821 | AS-10263 | F20507 | FT-0700801 | m-Dioxan-2-one | [1,3]dioxan-2-one | 1,3-Carbonyl

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Specifications

Synonyme

Cyclic trimethylene carbonate | 1,3-Propanediol, cyclic carbonate | InChI=1/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H | Q161506 | YFHICDDUDORKJB-UHFFFAOYSA-N | DTXSID20953766 | D3821 | AS-10263 | F20507 | FT-0700801 | m-Dioxan-2-one | [1,3]dioxan-2-one | 1,3-Carbonyl

Spezifikationen & Reinheit

≥98%(GC)

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488187778
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187778
• Kanonisches Lächeln: C1COC(=O)OC1
• IUPAC Name: 1,3-dioxan-2-one
• InChIKey: YFHICDDUDORKJB-UHFFFAOYSA-N
• INCHI: 1S/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H2
• Isomere SMILES: C1COC(=O)OC1
• Molekulargewicht: 102.09
• Beilstein: 19(5)4,16
• Reaxy-Rn: 107756
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107756&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Dioxanes
      • Subclass 1,3-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Dioxanes
• Subclass: 1,3-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxanes
• Alternative Parents: Carbonic acid diesters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carbonic acid diester - Meta-dioxane - Carbonic acid derivative - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
• External Descriptors: Not available

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Siedepunkt (°C): 135°C/4mmHg
• Schmelzpunkt (°C): 48 °C
• Molekulargewicht: 102.090 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 102.032 Da
• Monoisotopic Mass: 102.032 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 71.000
• 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

Referenzen

1. 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]

2. Wenhao Xiao, Hongli Xu, Jie Zhang, Yang Chen, Zhixian Dong, Anfu Chen, Jinbao Xu, Caihong Lei.  (2021)  One-Shot synthesis of heterografted brush copolymers through orthogonal Ring-Opening polymerization and atom transfer radical polymerization.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2021.110785]

3. Cai Zuo, Hongping Li, Gong Chen, Jun Yang, Zhixin Xu, Zhigang Xue.  (2021)  Fabrication of Elastic Cyclodextrin-Based Triblock Polymer Electrolytes for All-Solid-State Lithium Metal Batteries.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.1c01625]

4. Yuehan Ren, Xujian Li, Lei Wu, Luqi Pan, Zhixiao Ji, Changcan Shi, Xiaodong Zhang.  (2021)  Poly(trimethylene carbonate) flexible intestinal anastomosis scaffolds to reduce the probability of intestinal fistula and obstruction.  Journal of Materials Chemistry B,  9  (26): (5340-5351).  [PMID:34152354] [10.1039/D1TB00759A]

5. Jia Liu, Xiaoning Ma, Yanping Tong, Meidong Lang.  (2018)  Syntheses of diselenide-containing dynamic polymers and their application in polymer alloys.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2018.10.154]

6. Bingxu Zhang, Xujian Li, Chuan Jiang, Chuanguang Wang, Haifeng Que, Cheng Zheng, Zhixiao Ji, Xudong Tao, Hongtao Xu, Changcan Shi.  (2024)  Construction of PVA/OHA-Gs@PTMC/PHA double-layer nanofiber flexible scaffold with antibacterial function for tension free rectal in-situ reconstruction.  BIOMATERIALS,      [PMID:39754964] [10.1016/j.biomaterials.2024.123064]

7. 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]

8. Zhen Zhang, Xin Hu, Geng Chen, Peijie Hou, Qi Zhang, Dahong Zhang, Chengdong Xiong, Xiliang Liu, Lifang Zhang.  (2025)  Investigation on the influence of different block ratios on the properties of biodegradable ABA–type block copolymer PTMC–b–PCL–b–PTMC.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2025.111603]

9. Ning Zisheng, Li Yuhan, Dai Lingmei, Liu Dehua, Du Wei.  (2025)  Advancing the synthesis of trimethylene carbonate: a high-yield green synthesis route.  Bioresources and Bioprocessing,  12  (1): (1-13).  [PMID:40261450] [10.1186/s40643-025-00877-6]

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2453-03-4, the molecular formula is C4H6O3, and the molecular weight is 102.09 g/mol. InChIKey YFHICDDUDORKJB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.