Hexanophenone - ≥98%(GC) , CAS No.942-92-7

CAS: 942-92-7 Cat. No.: H156993 분자식: C₁₂H₁₆O 분자량: 176.26 Beilstein Registry Number: 7(2)257 EC 번호: 213-394-6

등급 & 순도 ≥98%(GC)

Synonyms

n-Pentyl phenyl ketone | 1-Benzoylpentane | 2,4,5-Triamino-6-hydroxypyrimidine | H0116 | 1-Phenyl-1-hexanone | F21443 | AS-56450 | n-Amylphenyl ketone | 1-phenyl-hexan-1-one | 1-phenylhexan-1-one | MFCD00009512 | 1-Hexanone, 1-phenyl- | n-Hexanophenone |

Storage

Argon charged,Room temperature

Shipped In

Normal

사양

동의어

n-Pentyl phenyl ketone | 1-Benzoylpentane | 2,4,5-Triamino-6-hydroxypyrimidine | H0116 | 1-Phenyl-1-hexanone | F21443 | AS-56450 | n-Amylphenyl ketone | 1-phenyl-hexan-1-one | 1-phenylhexan-1-one | MFCD00009512 | 1-Hexanone, 1-phenyl- | n-Hexanophenone |

사양 및 순도

≥98%(GC)

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

504754521

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754521

정식 스마일

CCCCCC(=O)C1=CC=CC=C1

IUPAC Name

1-phenylhexan-1-one

InChIKey

MAHPVQDVMLWUAG-UHFFFAOYSA-N

INCHI

1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3

이성체 SMILES

CCCCCC(=O)C1=CC=CC=C1

WGK 독일

3

분자량

176.26

Beilstein

7(2)257

Reaxy-Rn

1908667

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1908667&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

• 감도: air sensitive
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 녹는점(°C): 25 °C
• 분자량: 176.250 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 176.12 Da
• Monoisotopic Mass: 176.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 145.000
• 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