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· · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 Valerophenone - ≥98% , CAS No.1009-14-9
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
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.
사양 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
이름과 식별자 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
고급 데이터 Taxonomic Classification 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.
3D 구조 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 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
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