2,3,4-Trimethylpentane - ≥98% , CAS No.565-75-3

CAS: 565-75-3 Cat. No.: T161705 Formule: C₈H₁₈ Poids moléculaire: 114.23 Beilstein Registry Number: 1696870 Numéro CE: 209-292-6 PubChem CID: 11269

GRADE & PURITY ≥98%

Synonyms

Pentane, 2,3,4-trimethyl- | T0482 | WOJ1QVR6OA | 2,3,4-Trimethylpentane, 98% | CHEBI:165735 | 1,1-DIISOPROPYLETHANE | T72628 | UNII-WOJ1QVR6OA | BRN 1696869 | NSC 24846 | (CH3)2CHCH(CH3)CH(CH3)2 | FT-0609400 | 4-01-00-00446 (Beilstein Handbook Reference)

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

Pentane, 2,3,4-trimethyl- | T0482 | WOJ1QVR6OA | 2,3,4-Trimethylpentane, 98% | CHEBI:165735 | 1,1-DIISOPROPYLETHANE | T72628 | UNII-WOJ1QVR6OA | BRN 1696869 | NSC 24846 | (CH3)2CHCH(CH3)CH(CH3)2 | FT-0609400 | 4-01-00-00446 (Beilstein Handbook Reference)

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504752093

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752093

Sourires canoniques

CC(C)C(C)C(C)C

IUPAC Name

2,3,4-trimethylpentane

InChIKey

RLPGDEORIPLBNF-UHFFFAOYSA-N

INCHI

1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3

Isomères SMILES

CC(C)C(C)C(C)C

WGK Allemagne

2

RTECS

SA3321500

PubChem CID

11269

Numéro ONU

3295

Groupe d'emballage

II

Poids moléculaire

114.23

Beilstein

1696870

Reaxy-Rn

1696869

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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: Hydrocarbons

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.41
• Point d'éclair (°F): 39.2 °F
• Point d'éclair (°C): 4°C(lit.)
• Point d'ébullition (°C): 112°C
• Poids moléculaire: 114.230 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 114.141 Da
• Monoisotopic Mass: 114.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 45.100
• 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

Foire aux questions

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 565-75-3, the molecular formula is C8H18, and the molecular weight is 114.23 g/mol. InChIKey RLPGDEORIPLBNF-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.