Mesityl oxide - ≥90% , CAS No.141-79-7

CAS: 141-79-7 Cat. No.: M105928 분자식: C₆H₁₀O 분자량: 98.14 Beilstein Registry Number: 1361550 EC 번호: 205-502-5

GRADE & PURITY ≥90%

Synonyms

Mesityl oxide, European Pharmacopoeia (EP) Reference Standard | Mesityloxyde | Acetone, isopropylidene- | Methyl 2,2-dimethylvinyl ketone | UNII-77LAC84669 | Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98% | Mesity

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

Mesityl oxide, European Pharmacopoeia (EP) Reference Standard | Mesityloxyde | Acetone, isopropylidene- | Methyl 2,2-dimethylvinyl ketone | UNII-77LAC84669 | Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98% | Mesity

사양 및 순도

≥90%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥90%

이름과 식별자

• Pubchem Sid: 504751751
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751751
• 정식 스마일: CC(=CC(=O)C)C
• IUPAC Name: 4-methylpent-3-en-2-one
• InChIKey: SHOJXDKTYKFBRD-UHFFFAOYSA-N
• INCHI: 1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
• 이성체 SMILES: CC(=CC(=O)C)C
• WGK 독일: 1
• RTECS: SB4200000
• UN 번호: 1229
• 포장 그룹: III
• 분자량: 98.14
• Beilstein: 1361550
• Reaxy-Rn: 1361550
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361550&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• External Descriptors: Oxygenated hydrocarbons

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: 1.442
• 발화점(°F): 31℃
• 발화점(°C): 31℃
• 끓는점(°C): 129°C
• 녹는점(°C): -52.85°C
• 분자량: 98.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 96.700
• 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

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