2,5-Dimethyl-3-hexanone - ≥96% , CAS No.1888-57-9

CAS: 1888-57-9 Cat. No.: D154365 Fórmula: C₈H₁₆O Peso molecular: 128.22 Número CE: 679-747-5

GRADE & PURITY ≥96%

Synonyms

3-Hexanone, 2,5-dimethyl- (8CI)(9CI) | TUIWMHDSXJWXOH-UHFFFAOYSA- | 3-Hexanone, 2,5-dimethyl- | NSC940 | NSC-940 | (-)-ISOBORNEOLACETICACID | UNII-S52D4H3T92 | DTXSID30172249 | S52D4H3T92 | 2,5-DIMETHYL-3-HEXANONE | AKOS009157574 | T70480 | 3-Hexanone,5-d

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Hexanone, 2,5-dimethyl- (8CI)(9CI) | TUIWMHDSXJWXOH-UHFFFAOYSA- | 3-Hexanone, 2,5-dimethyl- | NSC940 | NSC-940 | (-)-ISOBORNEOLACETICACID | UNII-S52D4H3T92 | DTXSID30172249 | S52D4H3T92 | 2,5-DIMETHYL-3-HEXANONE | AKOS009157574 | T70480 | 3-Hexanone,5-d

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504752719

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752719

Sorrisos canónicos

CC(C)CC(=O)C(C)C

IUPAC Name

2,5-dimethylhexan-3-one

InChIKey

TUIWMHDSXJWXOH-UHFFFAOYSA-N

INCHI

1S/C8H16O/c1-6(2)5-8(9)7(3)4/h6-7H,5H2,1-4H3

SMILES isoméricas

CC(C)CC(=O)C(C)C

Peso molecular

128.22

Reaxy-Rn

1741768

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741768&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.41
• Ponto de ebulição (°C): 148°C
• Peso molecular: 128.210 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 128.12 Da
• Monoisotopic Mass: 128.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.700
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥96% 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 ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1888-57-9, the molecular formula is C8H16O, and the molecular weight is 128.22 g/mol. InChIKey TUIWMHDSXJWXOH-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.