2,2-Dimethylcyclohexanone - ≥92% , CAS No.1193-47-1

CAS: 1193-47-1 Cat. No.: D166342 분자식: C₈H₁₄O 분자량: 126.2 EC 번호: 626-402-1

등급 & 순도 ≥92%

Synonyms

BS-13175 | Cyclohexanone,2-dimethyl- | FT-0633452 | 2,2-Dimethylcyclohexanone | 2,2-dimethyl-cyclohexanone | DTXSID30870859 | EINECS 215-589-1 | NSC 20553 | 2,2-Dimethyl cyclohexan-1-one | AB92712 | 2,2-dimethyl-cyclohexan-1-one | 2,2-dimethylcyclohexan-1

Storage

Room temperature

Shipped In

Normal

개요

2,2-Dimethylcyclohexanone is a sterically hindered ketone. Mg-TiCl4-catalyzed CH2-transfer reaction of 2,2-dimethylcyclohexanone with CH2Cl2 is reported.

Application：

2,2-Dimethylcyclohexanone may be used in the preparation of 6,6-dimethyl-1-vinylcyclohexene.

사양

동의어

BS-13175 | Cyclohexanone,2-dimethyl- | FT-0633452 | 2,2-Dimethylcyclohexanone | 2,2-dimethyl-cyclohexanone | DTXSID30870859 | EINECS 215-589-1 | NSC 20553 | 2,2-Dimethyl cyclohexan-1-one | AB92712 | 2,2-dimethyl-cyclohexan-1-one | 2,2-dimethylcyclohexan-1

사양 및 순도

≥92%

보관 조건

Room temperature

배송

Normal

순수함

≥92%

이름과 식별자

Pubchem Sid

504757101

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757101

정식 스마일

CC1(CCCCC1=O)C

IUPAC Name

2,2-dimethylcyclohexan-1-one

InChIKey

KNSPBSQWRKKAPI-UHFFFAOYSA-N

INCHI

1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3

이성체 SMILES

CC1(CCCCC1=O)C

WGK 독일

3

분자량

126.2

Reaxy-Rn

1905142

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905142&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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): 122 °F
• 발화점(°C): 50 °C
• 끓는점(°C): 169-170°C/768mmHg
• 녹는점(°C): -20 °C
• 분자량: 126.200 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.104 Da
• Monoisotopic Mass: 126.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 125.000
• 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