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2,2,3-Trimethylpentane - 98%, high purity , CAS No.564-02-3

COA

Grade & Purity:

≥98%

Cas Number: 564-02-3
Molecular Weight: 114.23
Beilstein Registry Number: 1(4)438
MDL number: MFCD00059241
PubChem CID: 11255

In stock

Item Number

T161702

Grouped product items
SKU	Size	Availability	Price	Qty
T161702-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$472.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	NSC 73954 \| T72627 \| FT-0609093 \| Pentane, 2,2,3-trimethyl- \| DTXSID60862202 \| 1P0B7R5K5T \| Trimethylpentane; 99% \| (+/-)-2,2,3-TRIMETHYLPENTANE \| UNII-1P0B7R5K5T \| 2-TERT-BUTYLBUTANE \| T0689 \| (CH3)3CCH(CH3)CH2CH3 \| XTDQDBVBDLYELW-UHFFFAOYSA-N \| 2,2,3-TR
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Saturated hydrocarbons
    - Subclass Alkanes

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	Not available
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

Names and Identifiers

IUPAC Name	2,2,3-trimethylpentane
INCHI	InChI=1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3
InChIKey	XTDQDBVBDLYELW-UHFFFAOYSA-N
Smiles	CCC(C)C(C)(C)C
Isomeric SMILES	CCC(C)C(C)(C)C
PubChem CID	11255
UN Number	1262
Packing Group	II
Molecular Weight	114.23
Beilstein	1(4)438
Reaxy-Rn	1696866

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.4
Flash Point(°F)	8°C(lit.)
Flash Point(°C)	8°C(lit.)
Boil Point(°C)	110°C
Molecular Weight	114.230 g/mol
XLogP3	3.800
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 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	56.900
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

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