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

CAS: 79-29-8 Cat. No.: D106276 Fórmula: C₆H₁₄ Peso molecular: 86.18 Beilstein Registry Number: 1730737 Número EC: 201-193-6

GRADE & PURITY ≥98%

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

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488180105

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180105

Sonrisas canónicas

CC(C)C(C)C

IUPAC Name

2,3-dimethylbutane

InChIKey

ZFFMLCVRJBZUDZ-UHFFFAOYSA-N

INCHI

1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3

Isómeros SMILES

CC(C)C(C)C

WGK Alemania

3

RTECS

EJ9350000

Número ONU

2457

Grupo de embalaje

II

Peso molecular

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: 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
• Descripción: 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

Data sources

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

Objetivos asociados (humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with ethanol, ether and acetone. Immiscible with water.
• Sensibilidad: heat sensitive
• Índice de refracción: 1.374-1.376
• Punto de inflamación (°F): -20.2 °F
• Punto de inflamación (°C): -29 °C
• Punto de ebullición (°C): 58°C
• Punto de fusión (°C): -129°C
• Peso molecular: 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 Ų
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 79-29-8, the molecular formula is C6H14, and the molecular weight is 86.18 g/mol. InChIKey ZFFMLCVRJBZUDZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.