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2,2,3-Trimethylbutane - 98%, high purity , CAS No.464-06-2

6 Citations

COA

Grade & Purity:

≥98%

Cas Number: 464-06-2
Molecular Weight: 100.21
Beilstein Registry Number: 1730760
MDL number: MFCD00039846
PubChem CID: 10044
PubChem SID: 504751900

In stock

Item Number

T161703

Grouped product items
SKU	Size	Availability	Price
T161703-1ml	1ml	2	$15.90
T161703-5ml	5ml	5	$59.90
T161703-25ml	25ml	5	$228.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	Pentamethylethane \| Butane, 2,2,3-trimethyl- \| Q209116 \| 40V943JDGR \| MFCD00039846 \| trimethylbutane \| Triptane \| NSC 73938 \| Triptan \| Butane,2,3-trimethyl- \| AKOS015903139 \| 2,2,3-TRIMETHYLBUTANE \| 2,2,3-trimethyl-butane \| AMY31971 \| 2,3-Trimethylbutane
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

Pubchem Sid	504751900
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751900
IUPAC Name	2,2,3-trimethylbutane
INCHI	InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3
InChIKey	ZISSAWUMDACLOM-UHFFFAOYSA-N
Smiles	CC(C)C(C)(C)C
Isomeric SMILES	CC(C)C(C)(C)C
WGK Germany	2
PubChem CID	10044
UN Number	1206
Packing Group	II
Molecular Weight	100.21
Beilstein	1730760
Reaxy-Rn	1730756

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
C2310156	Certificate of Analysis	Dec 30, 2022	T161703
C2310146	Certificate of Analysis	Dec 30, 2022	T161703
C2310145	Certificate of Analysis	Dec 30, 2022	T161703

Chemical and Physical Properties

Refractive Index	1.39
Flash Point(°F)	19.4 °F
Flash Point(°C)	-20°C(lit.)
Boil Point(°C)	81°C
Melt Point(°C)	-24°C(lit.)
Molecular Weight	100.200 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	100.125 Da
Monoisotopic Mass	100.125 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	45.500
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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