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2,5-Dimethyl-2,5-hexanediol - 99%, high purity , CAS No.110-03-2
Basic Description
Synonyms
2,5-dimethyl-2,5-hexandiol | CAS-110-03-2 | EN300-51669 | AKOS008967365 | STR04292 | 2,5-DIHYDROXY-2,5-DIMETHYLHEXANE | Q8487586 | HMS3039I04 | W-108698 | 2,5-DIMETHYL-2,5-HEXANEDIOL [HSDB] | 2,5-DIMETHYL-2,5-HEXANEDIOL | MFCD00004473 | Dimethylhexanediol
Specifications & Purity
≥99%
Shipped In
Normal
Product Description
2,5-Dimethyl-2,5-hexanediol on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines
application：
It is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane to produce polyethylene copolymers and polyethylene rubbers. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Not available
Direct Parent
Tertiary alcohols
Alternative Parents
Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Tertiary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
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.
Associated Targets(Human)
Associated Targets(non-human)
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
488180659
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180659
IUPAC Name
2,5-dimethylhexane-2,5-diol
INCHI
InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
InChIKey
ZWNMRZQYWRLGMM-UHFFFAOYSA-N
Smiles
CC(C)(CCC(C)(C)O)O
Isomeric SMILES
CC(C)(CCC(C)(C)O)O
WGK Germany
3
Molecular Weight
146.23
Beilstein
1361437
Reaxy-Rn
1361437
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361437&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water 20°C 140g/L.
Flash Point(°F)
260.6 °F
Flash Point(°C)
127 °C
Boil Point(°C)
127°C/32mmHg
Melt Point(°C)
89°C
Molecular Weight
146.230 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
146.131 Da
Monoisotopic Mass
146.131 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
91.800
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
Citations of This Product
1.
Binghua Zhou, Ying Zhou, Lujie Lai, Ziling Chen, Jiajia Li, Yunliang Jiang, Jian Liu, Zhipeng Wang, Zhigang Xue.
(2021)
Fabrication of Borate-Based Porous Polymer Electrolytes Containing Cyclic Carbonate for High-Performance Lithium Metal Batteries. ACS Applied Energy Materials,
4
(9):
(9582–9593).
2.
Jinfang Zhang, Cheng Ma, Hua Hou, Xiaofeng Li, Libao Chen, Douglas G. Ivey, Weifeng Wei.
(2018)
A star-shaped solid composite electrolyte containing multifunctional moieties with enhanced electrochemical properties for all solid-state lithium batteries. JOURNAL OF MEMBRANE SCIENCE,
552
(107).
3.
Cheng Zhang, Hongyi Qi, Tianxiao Chang, Yahe Wu, Jiacheng Cao, Mingsen Chen, Yanbin Huang, Wantai Yang.
(2025)
Synthesis of High-Molecular-Weight Maleic Anhydride-Based Copolymer Esters by Intermolecular Double-End Esterification with Diols. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,
64
(6):
(3578-3586).
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3 Citations
G2426525