(R)-(+)-3-Methylcyclohexanone - ≥98% , CAS No.13368-65-5

CAS: 13368-65-5 Cat. No.: R472235 분자식: CH₃C₆H₉(=O) 분자량: 112.17 EC 번호: 236-438-6

GRADE & PURITY ≥98%

Synonyms

(+)-(3R)-3-Methylcyclohexanone | (3R)-3-Methylcyclohexanone | (R)-(+)-3-Methylcyclohexanone, 98% | Q27266029 | (R)-(+)-3-Methylcyclohexanone | (r)-3-methylcyclohexanone | (r)-3-methyl-cyclohexanone | UNII-72794G6S5C | Cyclohexanone, 3-methyl-, (R)- | SCHE

Storage

Protected from light,Room temperature

Shipped In

Normal

개요

Description

(R)-(+)-3-Methylcyclohexanone may be used in the preparation of (R)-5-methyl-2-(1-methylethylidene-d6)-cyclohexanone [(R)-(+)-pulegone-d6].

Specifications

동의어

(+)-(3R)-3-Methylcyclohexanone | (3R)-3-Methylcyclohexanone | (R)-(+)-3-Methylcyclohexanone, 98% | Q27266029 | (R)-(+)-3-Methylcyclohexanone | (r)-3-methylcyclohexanone | (r)-3-methyl-cyclohexanone | UNII-72794G6S5C | Cyclohexanone, 3-methyl-, (R)- | SCHE

사양 및 순도

≥98%

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504755670
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755670
• 정식 스마일: CC1CCCC(=O)C1
• IUPAC Name: (3R)-3-methylcyclohexan-1-one
• InChIKey: UJBOOUHRTQVGRU-ZCFIWIBFSA-N
• INCHI: 1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1
• 이성체 SMILES: C[C@@H]1CCCC(=O)C1
• WGK 독일: 1
• 분자량: 112.17
• Reaxy-Rn: 969804
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969804&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

• 감도: Light sensitive
• 굴절률: n20/D 1.446 (lit.)
• 특정 회전[α]: [α]24/D +13.5°, neat
• 발화점(°F): 125.6 °F
• 발화점(°C): 52 °C
• 끓는점(°C): 168-169 °C (lit.)
• 분자량: 112.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13368-65-5, the molecular formula is CH3C6H9(=O), and the molecular weight is 112.17 g/mol. InChIKey UJBOOUHRTQVGRU-ZCFIWIBFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.