3-Hexyn-2-one - ≥97% , CAS No.1679-36-3

CAS: 1679-36-3 Cat. No.: H113632 분자식: C₆H₈O 분자량: 96.12 EC 번호: 679-962-4

GRADE & PURITY ≥97%

Synonyms

FT-0615790 | 3-Hexyn-2-one | D90939 | LTAPKZGQTMVYMX-UHFFFAOYSA-N | hex-3-yn-2-one | MFCD00041627 | AKOS015903605 | H0741 | EN300-2009579 | 3-Hexyn-2-one, AldrichCPR | DTXSID4075114 | 1-Butynyl Methyl Ketone

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

FT-0615790 | 3-Hexyn-2-one | D90939 | LTAPKZGQTMVYMX-UHFFFAOYSA-N | hex-3-yn-2-one | MFCD00041627 | AKOS015903605 | H0741 | EN300-2009579 | 3-Hexyn-2-one, AldrichCPR | DTXSID4075114 | 1-Butynyl Methyl Ketone

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• 정식 스마일: CCC#CC(=O)C
• IUPAC Name: hex-3-yn-2-one
• InChIKey: LTAPKZGQTMVYMX-UHFFFAOYSA-N
• INCHI: 1S/C6H8O/c1-3-4-5-6(2)7/h3H2,1-2H3
• 이성체 SMILES: CCC#CC(=O)C
• UN 번호: 1992
• 분자량: 96.12
• Reaxy-Rn: 1699613
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699613&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds
• Direct Parent: Alpha,beta-unsaturated ketones
• Alternative Parents: Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha,beta-unsaturated ketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha,beta-unsaturated ketones. These are ketones with the general structure R#CC(=O)R' or R=CC(=O)R', where R=organyl and R'= organyl group.
• 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

화학 및 물리적 특성

• 굴절률: 1.44
• 발화점(°F): 39 °C
• 발화점(°C): 39°C
• 끓는점(°C): 68°C
• 분자량: 96.130 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.0575 Da
• Monoisotopic Mass: 96.0575 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 122.000
• 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

자주 묻는 질문

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 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 1679-36-3, the molecular formula is C6H8O, and the molecular weight is 96.12 g/mol. InChIKey LTAPKZGQTMVYMX-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.