Butyrophenone - ≥99% , CAS No.495-40-9

CAS: 495-40-9 Cat. No.: B100860 분자식: C₁₀H₁₂O 분자량: 148.2 Beilstein Registry Number: 508305 EC 번호: 207-799-7

GRADE & PURITY ≥99%

Synonyms

Q421344 | Phenyl propyl ketone | A827738 | NCGC00256194-01 | F0001-1286 | NSC8463NSC 8463 | 1-Butanone, 1-phenyl- | NSC 8463 | propylphenylketone | 1-Phenyl-1-butanone | BBL027757 | UNII-186I11WB5B | BUTYROPHENONE | STL373490 | 3-methylpropiophenone | SY0

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Q421344 | Phenyl propyl ketone | A827738 | NCGC00256194-01 | F0001-1286 | NSC8463NSC 8463 | 1-Butanone, 1-phenyl- | NSC 8463 | propylphenylketone | 1-Phenyl-1-butanone | BBL027757 | UNII-186I11WB5B | BUTYROPHENONE | STL373490 | 3-methylpropiophenone | SY0

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

작업 유형

ANTAGONIST

순수함

≥99%

이름과 식별자

Pubchem Sid

488181113

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181113

정식 스마일

CCCC(=O)C1=CC=CC=C1

IUPAC Name

1-phenylbutan-1-one

InChIKey

FFSAXUULYPJSKH-UHFFFAOYSA-N

INCHI

1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

이성체 SMILES

CCCC(=O)C1=CC=CC=C1

WGK 독일

3

분자량

148.2

Beilstein

508305

Reaxy-Rn

508305

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508305&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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.52
• 발화점(°F): 206.6 °F
• 발화점(°C): 97℃
• 끓는점(°C): 228-230°C
• 녹는점(°C): 11-13°C
• 분자량: 148.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 148.089 Da
• Monoisotopic Mass: 148.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 123.000
• 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 ≥99% 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 495-40-9, the molecular formula is C10H12O, and the molecular weight is 148.2 g/mol. InChIKey FFSAXUULYPJSKH-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.