3-Methylcyclopentanone - ≥97% , CAS No.1757-42-2

CAS: 1757-42-2 Cat. No.: M113659 Formula: C₆H₁₀O Peso molecolare: 98.14 Beilstein Registry Number: 1305074 Numero EC: 217-148-9

GRADE & PURITY ≥97%

Synonyms

N603804P52 | Q27284587 | 3-methyl-cyclopentan-1-one | 3-methylcyclopentan-1-one | (+/-)-3-methylcyclopentanone | NSC25212 | NSC-25212 | AKOS005255221 | J-512899 | DTXSID201023930 | EN300-51490 | AMY3874 | NSC 25212 | J-502099

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

3-Methylcyclopentanone is a monocyclic ketone and its optical rotatory dispersion has been studied under isolated and solvated conditions to explore the role of ring size/morphology.The vibrationally resolved electronic circular dichroism (ECD) spectra of (R)-(+)-3-methylcyclopentanone in gas phase was evaluated by density functional theory.

Specifications

Sinonimi

N603804P52 | Q27284587 | 3-methyl-cyclopentan-1-one | 3-methylcyclopentan-1-one | (+/-)-3-methylcyclopentanone | NSC25212 | NSC-25212 | AKOS005255221 | J-512899 | DTXSID201023930 | EN300-51490 | AMY3874 | NSC 25212 | J-502099

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488182157
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182157
• Sorrisi canonici: CC1CCC(=O)C1
• IUPAC Name: 3-methylcyclopentan-1-one
• InChIKey: AOKRXIIIYJGNNU-UHFFFAOYSA-N
• INCHI: 1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
• Isomeri SMILES: CC1CCC(=O)C1
• WGK Germania: 3
• Numero UN: 1224
• Peso molecolare: 98.14
• Beilstein: 1305074
• Reaxy-Rn: 1305074
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1305074&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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

Proprietà chimiche e fisiche

• Sensibilità: heat sensitive
• Indice di rifrazione: 1.434
• Punto di infiammabilità (°F): 96°F
• Punto di infiammabilità (°C): 36℃
• Punto di ebollizione (°C): 145°C
• Punto di fusione (°C): -58℃
• Peso molecolare: 98.140 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• 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: 86.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1757-42-2, the molecular formula is C6H10O, and the molecular weight is 98.14 g/mol. InChIKey AOKRXIIIYJGNNU-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.