Éter dimetílico de isosorbida - ≥98%(GC) , CAS No.5306-85-4

CAS: 5306-85-4 Cat. No.: I157534 Peso molecular: 174.2 Beilstein Registry Number: 80854 Número EC: 226-159-8

GRADE & PURITY ≥98%(GC)

Synonyms

DMI | (3R,3aR,6S,6aR)-3,6-Dimethoxyhexahydrofuro[3,2-b]furan | (3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan | 2,5-Dimethylisosorbide | Isosorbide dimethyl ether | SA6A6V432S | 1,4:3,6-Dianhidro-2,5-di-O-metil-D-glucitol

Storage

Room temperature

Shipped In

Normal

Descripción general

Descripción del producto:

El éter dimetílico de isosorbida (DMI), un disolvente sostenible, se utiliza ampliamente en diversas formulaciones cosméticas y farmacéuticas.

Aplicación del producto：
El DMI puede utilizarse como disolvente ecológico alternativo para la epoxidación del cicloocteno, la reacción Baylis-Hillman de aldehídos derivados de la isomaltulosa con cetonas α,β-insaturadas y también en síntesis en fase sólida.
Puede utilizarse como coalescente para pinturas al agua, donde actúa como co-disolvente durante la fase de pérdida de agua y como agente coalescente durante la formación de la película.

Se emplea como disolvente especial. Es un disolvente para ingredientes activos, especialmente DHA para productos de bronceado sin sol. También se utiliza como agente controlador de la viscosidad.

Specifications

Sinónimos

DMI | (3R, 3aR, 6S, 6aR)-3, 6-Dimethoxyhexahydrofuro[3, 2-b]furan | (3S, 3aR, 6R, 6aR)-3, 6-dimethoxy-2, 3, 3a, 5, 6, 6a-hexahydrofuro[3, 2-b]furan | 2, 5-Dimethylisosorbide | Isosorbide dimethyl ether | SA6A6V432S | 1, 4:3, 6-Dianhidro-2, 5-di-O-metil-D-glucitol

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488183622
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183622
• Sonrisas canónicas: COC1COC2C1OCC2OC
• IUPAC Name: (3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
• InChIKey: MEJYDZQQVZJMPP-ULAWRXDQSA-N
• INCHI: 1S/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
• Isómeros SMILES: CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC
• WGK Alemania: 3
• Peso molecular: 174.2
• Beilstein: 80854
• Reaxy-Rn: 4372223
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4372223&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furofurans
      • Subclass Isosorbides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furofurans
• Subclass: Isosorbides
• Intermediate Tree Nodes: Not available
• Direct Parent: Isosorbides
• Alternative Parents: Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Isosorbide - Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Índice de refracción: n20/D 1.461 (lit.)
• Rotación específica [α]: α21/D +96.1°, c = 2 in chloroform
• Punto de inflamación (°F): 226°F
• Punto de inflamación (°C): 108°C
• Punto de ebullición (°C): 93-95 °C/0.1 mmHg (lit.)
• Punto de fusión (°C): -70°C
• Peso molecular: 174.190 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 174.089 Da
• Monoisotopic Mass: 174.089 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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. Xianzhu You, Yating Zhou, Xuru Jin, Sheng Xiang, Xiaopeng Pei, Hua Zhou, Zhiyong Liao, Ying Tan.  (2023)  Green fabrication of PHBV microbeads using a dimethyl isosorbide solvent for skin exfoliators.  GREEN CHEMISTRY,      [PMID:] [10.1039/D3GC03214K]

2. Chun Chang, Shijie Wang, Pengkun Guo, Guizhuan Xu, Xiaoyang Zheng, Chaojun Du, Youzhou Jiao.  (2022)  Metal sulfate-catalyzed methanolysis of cellulose at high solid loadings: Heterogeneous degradation kinetics and levulinate synthesis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.139873]

3. Yan Wang, Ting Ou, Yue Dong, Lu Chen, Yunjie Huang, Delong Sun, Wei Qiang, Xiaopeng Pei, Yiju Li, Ying Tan.  (2024)  A Green Asymmetric Bicyclic Co-Solvent Molecule for High-Voltage Aqueous Lithium-Ion Batteries.  ADVANCED MATERIALS,      [PMID:38211955] [10.1002/adma.202311009]

4. Yiming Zhang, Yu Cao, Baoshan Zhang, Haochen Gong, Shaojie Zhang, Xiaoyi Wang, Xinpeng Han, Shuo Liu, Ming Yang, Wensheng Yang, Jie Sun.  (2024)  Rational Molecular Engineering via Electron Reconfiguration toward Robust Dual-Electrode/Electrolyte Interphases for High-Performance Lithium Metal Batteries.  ACS Nano,      [PMID:38776362] [10.1021/acsnano.4c04517]

5. Chenjing Qu, Xiaolong Han, Haiyun Wang, Ruidong Wang, Yifei Zhang, Weiwei Sun, Ziqian Shi, Yuting Wang, Penggang Yin.  (2025)  Synergistic Catalysis Driven by Solvent Effect: Efficient Glycolysis of Polyethylene Terephthalate (PET) by the Zn(OAc)2/DBU-DMSO System.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c03502]