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2,4-Dimethyl-2,4-pentanediol - >96.0%(GC), high purity , CAS No.24892-49-7
Basic Description
Synonyms
DTXSID50179598 | 2,4-Dimethyl-2,4-pentanediol, 99% | 2,4-Dimethyl-2,4-pentanediol | 2,4-Dimethylpentane-2,4-diol | T70643 | D1946 | Q27462060 | KP1 | SCHEMBL38006 | DBTGFWMBFZBBEF-UHFFFAOYSA- | SY051863 | AS-60388 | MFCD00012306 | J-015719 | InChI=1/C7H16
Specifications & Purity
≥96%(GC)
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
application：
Its Cr(VI) ester catalyzes the peroxyacetic acid oxidation of secondary alcohols to ketones. The chromate ester is easily prepared in situ.
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.
Names and Identifiers
Pubchem Sid
504757225
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504757225
IUPAC Name
2,4-dimethylpentane-2,4-diol
INCHI
InChI=1S/C7H16O2/c1-6(2,8)5-7(3,4)9/h8-9H,5H2,1-4H3
InChIKey
DBTGFWMBFZBBEF-UHFFFAOYSA-N
Smiles
CC(C)(CC(C)(C)O)O
Isomeric SMILES
CC(C)(CC(C)(C)O)O
Molecular Weight
132.2
Beilstein
1(3)2217
Reaxy-Rn
1304453
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1304453&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic ；heat sensitive；air sensitive
Refractive Index
n20/D 1.433 (lit.)
Flash Point(°C)
85°C(lit.)
Boil Point(°C)
100°C/17mmHg(lit.)
Melt Point(°C)
8 °C
Molecular Weight
132.200 g/mol
XLogP3
0.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
132.115 Da
Monoisotopic Mass
132.115 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
83.100
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
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L2207735