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2,2,4,4-Tetramethylpentane - 98%, high purity , CAS No.1070-87-7

COA

Grade & Purity:

≥98%

Cas Number: 1070-87-7
Molecular Weight: 128.26
Beilstein Registry Number: 1(4)464
MDL number: MFCD00060873
PubChem CID: 14058
PubChem SID: 488181930

In stock

Item Number

T161712

Grouped product items
SKU	Size	Availability	Price	Qty
T161712-1ml	1ml	10	$12.90
T161712-5ml	5ml	3	$49.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	Di-tert-Butylmethane \| Q5651154 \| 1-(2-AMINOETHYL)-4-PIPERIDINOL2HCL \| FT-0691309 \| D92505 \| NSC 23692 \| AKOS015903686 \| DTXSID70147870 \| NSC23692 \| NSC-23692 \| 2,2,4,4-TETRAMETHYLPENTANE \| 2,2,4,4-tetramethyl-pentane \| Pentane, 2,2,4,4-tetramethyl- (8CI)
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	488181930
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181930
IUPAC Name	2,2,4,4-tetramethylpentane
INCHI	InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3
InChIKey	GUMULFRCHLJNDY-UHFFFAOYSA-N
Smiles	CC(C)(C)CC(C)(C)C
Isomeric SMILES	CC(C)(C)CC(C)(C)C
PubChem CID	14058
Molecular Weight	128.26
Beilstein	1(4)464
Reaxy-Rn	1730923

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2026108	Certificate of Analysis	Jun 19, 2024	T161712
H2026109	Certificate of Analysis	Jun 19, 2024	T161712
J2425655	Certificate of Analysis	May 07, 2024	T161712
E2216189	Certificate of Analysis	Mar 12, 2022	T161712
B2210160	Certificate of Analysis	Feb 23, 2022	T161712
E2306865	Certificate of Analysis	Feb 23, 2022	T161712

Chemical and Physical Properties

Refractive Index	1.41
Flash Point(°F)	16°C(lit.)
Flash Point(°C)	16°C
Boil Point(°C)	122°C(lit.)
Molecular Weight	128.250 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	128.157 Da
Monoisotopic Mass	128.157 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	65.200
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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