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DL-1,2-Isopropylideneglycerol - 98%(contains isomer), high purity , CAS No.100-79-8
Basic Description
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
Specifications & Purity
≥98%, mixture of isomer
Storage Temp
Argon charged
Shipped In
Normal
Product Description
DL-1,2-Isopropylideneglycerol undergoes effective isopropylidenation and deprotection reaction catalyzed by phosphotungstic acid
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
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
Description
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488180474
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180474
IUPAC Name
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
INCHI
InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
InChIKey
RNVYQYLELCKWAN-UHFFFAOYSA-N
Smiles
CC1(OCC(O1)CO)C
Isomeric SMILES
CC1(OCC(O1)CO)C
WGK Germany
2
RTECS
JI0400000
Molecular Weight
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=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water (fully), alcohol, acetals, esters, and ethers.
Sensitivity
Air sensitive
Refractive Index
1.434
Flash Point(°F)
194 °F
Flash Point(°C)
80°C
Boil Point(°C)
188-189°C
Melt Point(°C)
-27°C
Molecular Weight
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
Citations of This Product
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,
71
(49):
(19610–19621).
2.
Yu Ji, Tengda Zhang, Xia Gui, HaiJian Shi, Zhi Yun.
(2020)
Solventless ketalization of glycerol to solketal with acetone over the ionic liquid [P(C4H9)3C14H29][TsO].
CHINESE JOURNAL OF CHEMICAL ENGINEERING,
28
(158).
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).
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).
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,
281
(135711).
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