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2,3-Dimethylbutane - 98%, high purity , CAS No.79-29-8

6 Citations

COA

Grade & Purity:

≥98%

Cas Number: 79-29-8
Molecular Weight: 86.18
Beilstein Registry Number: 1730737
EC Number: 201-193-6
MDL number: MFCD00008925
PubChem CID: 6589
PubChem SID: 488180105

In stock

Item Number

D106276

Grouped product items
SKU	Size	Availability	Price
D106276-5ml	5ml	10	$23.90
D106276-25ml	25ml	7	$40.90
D106276-100ml	100ml	5	$147.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	InChI=1/C6H14/c1-5(2)6(3)4/h5-6H,1-4H \| HSDB 76 \| Tox21_200674 \| UN 2457 \| WLN: 1Y1&Y1&1 \| 2,3-Dimethylbutane [UN2457] [Flammable liquid] \| NCGC00258228-01 \| D0690 \| Q209178 \| NSC24837 \| NSC-24837 \| CHEBI:141560 \| 2,3-DIMETHYLBUTANE [HSDB] \| 2,3-Dimethyl
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	2,3-Dimethylbutane can can undergo hydrogenolysis over supported catalysts of ruthenium, nickel, cobalt, and iron to form smaller hydrocarbons, mainly methane. A branched saturated hydrocarbon for proteomics research

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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488180105
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180105
IUPAC Name	2,3-dimethylbutane
INCHI	InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
InChIKey	ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
Smiles	CC(C)C(C)C
Isomeric SMILES	CC(C)C(C)C
WGK Germany	3
RTECS	EJ9350000
UN Number	2457
Packing Group	II
Molecular Weight	86.18
Beilstein	1730737
Reaxy-Rn	1730737
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730737&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
C2111044	Certificate of Analysis	Dec 19, 2024	D106276
C2111045	Certificate of Analysis	Dec 19, 2024	D106276
L2007250	Certificate of Analysis	Sep 06, 2024	D106276
I2214482	Certificate of Analysis	Aug 30, 2022	D106276
I2214485	Certificate of Analysis	Aug 30, 2022	D106276
I2214535	Certificate of Analysis	Aug 30, 2022	D106276
H2209245	Certificate of Analysis	Jul 22, 2022	D106276
H2209246	Certificate of Analysis	Jul 22, 2022	D106276
C23311628	Certificate of Analysis	Jun 24, 2022	D106276
G2216226	Certificate of Analysis	Jun 24, 2022	D106276
C2218183	Certificate of Analysis	Feb 22, 2022	D106276
C23311622	Certificate of Analysis	Oct 27, 2021	D106276

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Chemical and Physical Properties

Solubility	Miscible with ethanol, ether and acetone. Immiscible with water.
Sensitivity	heat sensitive
Refractive Index	1.374-1.376
Flash Point(°F)	-20.2 °F
Flash Point(°C)	-29 °C
Boil Point(°C)	58°C
Melt Point(°C)	-129°C
Molecular Weight	86.180 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	86.1096 Da
Monoisotopic Mass	86.1096 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	21.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Ruijuan Duan, Meiling Qi. (2021) Amphiphilic triblock copolymer as the gas chromatographic stationary phase with high-resolution performance towards a wide range of isomers and the components of lemon essential oil. JOURNAL OF CHROMATOGRAPHY A, 1658 (462611).
2. Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan. (2019) In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons. ELECTROPHORESIS, 40 (16-17): (2186-2192).
3. Lin Fan, Xiu-Ping Yan. (2012) Evaluation of isostructural metal–organic frameworks coated capillary columns for the gas chromatographic separation of alkane isomers. TALANTA, 99 (944).
4. Yixin Kuang, Suxin Zhou, Cheng Mao, Xiaoying Feng, Juan Zheng, Gangfeng Ouyang. (2025) Cascading in-situ grown UiO-66 and alternative calix[n]arenes for high-resolution isomer separation. SEPARATION AND PURIFICATION TECHNOLOGY, 354 (129313).
5. Jiayan Zhu, Lin Zhang, Zongjian Liu, Wenxia Zhai, Zhengfei Ma, Qun Cui, Haiyan Wang. (2024) Delayed linker addition (DLA) synthesis of dual linker ZIF-8 for separation mono- and di-branched isomers of hexane. SEPARATION AND PURIFICATION TECHNOLOGY, 350 (127947).
6. Jing-ran Yu, Pan-pan Zhang, Jia-yu Ding, Yue-bin Liu, Wei-hai Lin, Wei Shao, Jia-jia He, Qihan Gong, Ming Xue. (2024) UiO-66/PIM-1 Mixed-Matrix Membrane for Hexane Isomer Separation. INORGANIC CHEMISTRY, 63 (28): (13031-13038).

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