DL-1,2-Isopropylideneglycerol - ≥98%, mixture of isomer , CAS No.100-79-8

CAS: 100-79-8 Cat. No.: D102242 Peso molecular: 132.16 Beilstein Registry Number: 104465 Número EC: 202-888-7

GRADE & PURITY ≥98%, mixture of isomer

Synonyms

(2,2-Dimethyl-1,3-dioxolan-4-yl)methanol | 1,2-Isopropylidene-rac-glycerol | Isopropylidene glycerol | Solketal | 2,2-Dimethyl-1,3-dioxolane-4-methanol | 1,2-Isopropylideneglycerol | Glycerolacetone | DL-1,2-Isopropylideneglycerol | Glycerol,2-O-isopropyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

DL-1,2-Isopropylideneglycerol undergoes effective isopropylidenation and deprotection reaction catalyzed by phosphotungstic acid

Specifications

Sinónimos

(2, 2-Dimethyl-1, 3-dioxolan-4-yl)methanol | 1, 2-Isopropylidene-rac-glycerol | Isopropylidene glycerol | Solketal | 2, 2-Dimethyl-1, 3-dioxolane-4-methanol | 1, 2-Isopropylideneglycerol | Glycerolacetone | DL-1, 2-Isopropylideneglycerol | Glycerol, 2-O-isopropyl

Especificaciones y pureza

≥98%, mixture of isomer

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180474
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180474
• Sonrisas canónicas: CC1(OCC(O1)CO)C
• IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
• InChIKey: RNVYQYLELCKWAN-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
• Isómeros SMILES: CC1(OCC(O1)CO)C
• WGK Alemania: 2
• RTECS: JI0400000
• Peso molecular: 132.16
• Beilstein: 104465
• Reaxy-Rn: 80119
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80119&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (fully), alcohol, acetals, esters, and ethers.
• Sensibilidad: Air sensitive
• Índice de refracción: 1.434
• Punto de inflamación (°F): 194 °F
• Punto de inflamación (°C): 80°C
• Punto de ebullición (°C): 188-189°C
• Punto de fusión (°C): -27°C
• Peso molecular: 132.160 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Teng Wei, Dengfeng Tan, Shengyue Zhong, Hong Zhang, Zeyuan Deng, Jing Li.  (2023)  Differences in Absorption and Metabolism between Structured 1,3-Oleate-2-palmitate Glycerol and 1-Oleate-2-palmitate-3-linoleate Glycerol on C57BL/6J Mice.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:38038963] [10.1021/acs.jafc.3c07234]

2. Yu Ji, Tengda Zhang, Xia Gui, HaiJian Shi, Zhi Yun.  (2019)  Solventless ketalization of glycerol to solketal with acetone over the ionic liquid [P(C4H9)3C14H29][TsO].  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2019.07.019]

3. Dongshun Deng, Xiuzhi Duan, Bao Gao, Chao Zhang, Xiaoxia Deng, Lei Gong.  (2019)  Efficient and reversible absorption of NH3 by functional azole–glycerol deep eutectic solvents.  NEW JOURNAL OF CHEMISTRY,  43  (29): (11636-11642).  [PMID:] [10.1039/C9NJ01788G]

4. Yuanlin Li, Ting Su, Sai Li, Yusi Lai, Bin He, Zhongwei Gu.  (2014)  Polymeric micelles with π–π conjugated moiety on glycerol dendrimer as lipophilic segments for anticancer drug delivery.  Biomaterials Science,  2  (5): (775-783).  [PMID:32481847] [10.1039/C3BM60267B]

5. Qingbo Bao, Huijie Li, Youjie Rong, Jianhua Fei, Xiaomin Zhang, Zhuang Zhao, Jian An, Xiaobo Huang.  (2024)  High-tear resistant gels crosslinked by DA@CNC for 3D printing flexible wearable devices.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39349338] [10.1016/j.ijbiomac.2024.135711]

6. Yuhang Tang, Zhipeng Lin, Shunyu Chen, Xiufeng Xiao.  (2025)  Anti-drying and recyclable polyvinyl alcohol/xanthan gum hydrogels based on a novel binary solvent for capacitive sensors.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.137344]

7. Meili Xia, Yongju Gao, Jianqiang Gao, Dingxin Yin, Ruibo Tian, Wenjing Guo, Pengmin Liu, Fuqin Wu, Duxia Cao, Hao Zhang, Yang Li, Songfang Zhao, Jong-Hyun Ahn.  (2026)  Reversible mechanical and adhesive biogels with ion-electronic hybrid conduction and skin temperature-mediated dynamic interactions for multi-modal and self-powered sensing.  Nano Materials Science,      [PMID:] [10.1016/j.nanoms.2025.12.009]