Valerophenone - ≥98% , CAS No.1009-14-9

CAS: 1009-14-9 Cat. No.: V107009 분자식: C₁₁H₁₄O 분자량: 162.23 Beilstein Registry Number: 1907717 EC 번호: 213-767-3 PubChem CID: 66093

GRADE & PURITY ≥98%

Synonyms

SY013718 | 1-Phenyl-1-pentanone | Valerophenone, 8CI | 4-methyl butyrophenone | AM20020075 | FT-0657901 | Valerophenone, 99% | NSC 58959 | InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 | 1-phenylpentan-1-one, Butyl phenyl ketone | F27Q0

Storage

Room temperature

Shipped In

Normal

개요

Valerophenone is a prochiral ketone which can undergo Norrish Type II reaction and hence can be used as a UV actinometer in photochemical experiments.

Specifications

동의어

SY013718 | 1-Phenyl-1-pentanone | Valerophenone, 8CI | 4-methyl butyrophenone | AM20020075 | FT-0657901 | Valerophenone, 99% | NSC 58959 | InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 | 1-phenylpentan-1-one, Butyl phenyl ketone | F27Q0

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504754036
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754036
• 정식 스마일: CCCCC(=O)C1=CC=CC=C1
• IUPAC Name: 1-phenylpentan-1-one
• InChIKey: XKGLSKVNOSHTAD-UHFFFAOYSA-N
• INCHI: 1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
• 이성체 SMILES: CCCCC(=O)C1=CC=CC=C1
• WGK 독일: 3
• PubChem CID: 66093
• 분자량: 162.23
• Beilstein: 1907717
• Reaxy-Rn: 1907717

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: aromatic ketone

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

• 용해성: Insoluble in water.
• 굴절률: 1.5143
• 발화점(°F): 215.6 °F
• 발화점(°C): 102 °C
• 끓는점(°C): 244-245°C
• 녹는점(°C): -9°C
• 분자량: 162.230 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 162.104 Da
• Monoisotopic Mass: 162.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 134.000
• 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

참고 문헌

1. Haoyu Long, Yanhao Jiang, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang.  (2023)  Chromatographic separation performance of silica microspheres surface-modified with triazine-containing imine-linked covalent organic frameworks.  TALANTA,      [PMID:37126925] [10.1016/j.talanta.2023.124589]

2. Yan Wu, Panpan Cao, Yanhao Jiang, Yanjuan Liu, Yuefei Zhang, Wei Chen, Zhengwu Bai, Sheng Tang.  (2022)  Ingenious introduction of aminopropylimidazole to tune the hydrophobic selectivity of dodecyl-bonded stationary phase for environmental organic pollutants.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107933]

3. Yuan Xiao, Jialiang Guo, Danni Ran, Qianqian Duan, Jacques Crommen, Zhengjin Jiang.  (2015)  One-pot preparation of a sulfamethoxazole functionalized affinity monolithic column for selective isolation and purification of trypsin.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:25980695] [10.1016/j.chroma.2015.04.046]

4. Qianqian Duan, Chusheng Liu, Zhenghua Liu, Zhengyin Zhou, Weijia Chen, Qiqin Wang, Jacques Crommen, Zhengjin Jiang.  (2014)  Preparation and evaluation of a novel monolithic column containing double octadecyl chains for reverse-phase micro high performance liquid chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:24786656] [10.1016/j.chroma.2014.04.036]

5. Li Han, Cui Yuanyuan, Zhen Changqing, Lin Xiaohui, Li Ke, Yang Chengxiong.  (2025)  Modification of Microporous Organic Network with Amino Acid for HILIC/RPLC Mixed-Mode High-Performance Liquid Chromatography.  Journal of Analysis and Testing,      [PMID:] [10.1007/s41664-025-00362-1]

6. Kun Peng, Qiqin Wang, Weijia Chen, Donghai Xia, Zhengyin Zhou, Yuqiang Wang, Zhengjin Jiang, Fuhai Wu.  (2016)  Phosphatidic acid-functionalized monolithic stationary phase for reversed-phase/cation-exchange mixed mode chromatography.  RSC Advances,  6  (103): (100891-100898).  [PMID:] [10.1039/C6RA21504A]