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2,3,4-Trimethylpentane - 98%, high purity , CAS No.565-75-3
Basic Description
Synonyms
Pentane, 2,3,4-trimethyl- | T0482 | WOJ1QVR6OA | 2,3,4-Trimethylpentane, 98% | CHEBI:165735 | 1,1-DIISOPROPYLETHANE | T72628 | UNII-WOJ1QVR6OA | BRN 1696869 | NSC 24846 | (CH3)2CHCH(CH3)CH(CH3)2 | FT-0609400 | 4-01-00-00446 (Beilstein Handbook Reference)
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Saturated hydrocarbons
Subclass
Alkanes
Intermediate Tree Nodes
Not available
Direct Parent
Branched alkanes
Alternative Parents
Not available
Molecular Framework
Aliphatic acyclic compounds
Substituents
Branched alkane - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
External Descriptors
Hydrocarbons
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
504752093
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752093
IUPAC Name
2,3,4-trimethylpentane
INCHI
InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3
InChIKey
RLPGDEORIPLBNF-UHFFFAOYSA-N
Smiles
CC(C)C(C)C(C)C
Isomeric SMILES
CC(C)C(C)C(C)C
WGK Germany
2
RTECS
SA3321500
PubChem CID
11269
UN Number
3295
Packing Group
II
Molecular Weight
114.23
Beilstein
1696870
Reaxy-Rn
1696869
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.41
Flash Point(°F)
39.2 °F
Flash Point(°C)
4°C(lit.)
Boil Point(°C)
112°C
Molecular Weight
114.230 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
2
Exact Mass
114.141 Da
Monoisotopic Mass
114.141 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
45.100
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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A2515439