Dodecanophenone - ≥98% , CAS No.1674-38-0

CAS: 1674-38-0 Cat. No.: D154406 분자식: C₁₈H₂₈O 분자량: 260.42 Beilstein Registry Number: 7(3)1291

GRADE & PURITY ≥98%

Synonyms

1-Dodecanone,1-phenyl- | 1-phenyl-dodecan-1-one | 1-Phenyldodecan-1-one | 2-Chloro-4-(diethylamino)-6-(isopropylamino)-s-triazine | AS-57951 | Undecyl phenyl ketone | L0018 | AI3-01173 | MFCD00008967 | SCHEMBL2124997 | J-010366 | Maybridge1_003217 | Dodec

Storage

Room temperature

Shipped In

Normal

개요

Dodecanophenone has been employed as micellar marker in: · micellar electrokinetic chromatography (MEC) systems · determination of octanol-water partition coefficients of pharmaceuticals by using pressure-assisted MEC

Specifications

동의어

1-Dodecanone,1-phenyl- | 1-phenyl-dodecan-1-one | 1-Phenyldodecan-1-one | 2-Chloro-4-(diethylamino)-6-(isopropylamino)-s-triazine | AS-57951 | Undecyl phenyl ketone | L0018 | AI3-01173 | MFCD00008967 | SCHEMBL2124997 | J-010366 | Maybridge1_003217 | Dodec

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

528772081

정식 스마일

CCCCCCCCCCCC(=O)C1=CC=CC=C1

IUPAC Name

1-phenyldodecan-1-one

InChIKey

DJNJZIFFCJTUDS-UHFFFAOYSA-N

INCHI

1S/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3

이성체 SMILES

CCCCCCCCCCCC(=O)C1=CC=CC=C1

WGK 독일

3

분자량

260.42

Beilstein

7(3)1291

Reaxy-Rn

2050785

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050785&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

• 발화점(°F): >235.4 °F
• 발화점(°C): >113 °C
• 끓는점(°C): 201-202℃
• 녹는점(°C): 44-46°C
• 분자량: 260.399 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 260.214 Da
• Monoisotopic Mass: 260.214 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 216.000
• 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