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3,3-Dimethylhexane - >99.0%(GC), high purity , CAS No.563-16-6

COA

Grade & Purity:

≥99%(GC)

Cas Number: 563-16-6
Molecular Weight: 114.23
Beilstein Registry Number: 1(4)435
MDL number: MFCD00048729
PubChem CID: 11233

In stock

Item Number

D155222

Grouped product items
SKU	Size	Availability	Price	Qty
D155222-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$265.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	3,3-DIMETHYL HEXANE \| NSC 74174 \| AKOS024420966 \| 3,3-Dimethylhexane \| 3,3-dimethyl-hexane \| 5Y25PZR32U \| T71064 \| EINECS 209-243-9 \| DTXSID2073194 \| UNII-5Y25PZR32U \| Q2815977 \| Hexane, 3,3-dimethyl- \| MFCD00048729 \| NSC74174 \| NSC-74174 \| KUMXLFIBWFCMOJ
Specifications & Purity	≥99%(GC)
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	3,3-dimethylhexane
INCHI	InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3
InChIKey	KUMXLFIBWFCMOJ-UHFFFAOYSA-N
Smiles	CCCC(C)(C)CC
Isomeric SMILES	CCCC(C)(C)CC
Molecular Weight	114.23
Beilstein	1(4)435
Reaxy-Rn	1696868
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696868&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	7°C(lit.)
Boil Point(°C)	112°C
Melt Point(°C)	-126°C(lit.)
Molecular Weight	114.230 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
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	53.100
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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