Oxyde de mésityle - ≥95% , CAS No.141-79-7

CAS: 141-79-7 Cat. No.: M105927 Formule: C₆H₁₀O Poids moléculaire: 98.14 Beilstein Registry Number: 1361550 Numéro CE: 205-502-5

GRADE & PURITY ≥95%

Synonyms

Mesityl oxide, European Pharmacopoeia (EP) Reference Standard | Mesityloxyde | Acetone, isopropylidene- | Methyl 2,2-dimethylvinyl ketone | UNII-77LAC84669 | Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98% | Mesity

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonymes

Mesityl oxide, European Pharmacopoeia (EP) Reference Standard | Mesityloxyde | Acetone, isopropylidene- | Methyl 2,2-dimethylvinyl ketone | UNII-77LAC84669 | Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98% | Mesity

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488180895

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180895

Sourires canoniques

CC(=CC(=O)C)C

IUPAC Name

4-methylpent-3-en-2-one

InChIKey

SHOJXDKTYKFBRD-UHFFFAOYSA-N

INCHI

1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

Isomères SMILES

CC(=CC(=O)C)C

WGK Allemagne

1

RTECS

SB4200000

Numéro ONU

1229

Groupe d'emballage

III

Poids moléculaire

98.14

Beilstein

1361550

Reaxy-Rn

1361550

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361550&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• External Descriptors: Oxygenated 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Indice de réfraction: 1.442
• Point d'éclair (°F): 31℃
• Point d'éclair (°C): 31℃
• Point d'ébullition (°C): 129°C
• Point de fusion (°C): -52.85°C
• Poids moléculaire: 98.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 96.700
• 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