(±)-trans-1,2-Cyclohexanediol - ≥95%(GC) , CAS No.1460-57-7

CAS: 1460-57-7 Cat. No.: C101651 분자식: C₆H₁₂O₂ 분자량: 116.16 Beilstein Registry Number: 3193810 EC 번호: 215-956-6

GRADE & PURITY ≥95%(GC)

Synonyms

(E)-alpha-Farnesene | CHEBI:16931 | NSC-83434 | trans-1,2-cyclohexandiol | .beta.-Farnesene | NSC 34836 | PFURGBBHAOXLIO-PHDIDXHHSA-N | rac-trans-1,2-cyclohexanediol | rel-(1R,2R)-cyclohexane-1,2-diol | O12154 | PS-6065 | UNII-8W5CKZ32GP | (+/-)-trans-1,2

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

(E)-alpha-Farnesene | CHEBI:16931 | NSC-83434 | trans-1,2-cyclohexandiol | .beta.-Farnesene | NSC 34836 | PFURGBBHAOXLIO-PHDIDXHHSA-N | rac-trans-1,2-cyclohexanediol | rel-(1R,2R)-cyclohexane-1,2-diol | O12154 | PS-6065 | UNII-8W5CKZ32GP | (+/-)-trans-1,2

사양 및 순도

≥95%(GC)

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 488186737
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186737
• 정식 스마일: C1CCC(C(C1)O)O
• IUPAC Name: (1R,2R)-cyclohexane-1,2-diol
• InChIKey: PFURGBBHAOXLIO-PHDIDXHHSA-N
• INCHI: 1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
• 이성체 SMILES: C1CC[C@H]([C@@H](C1)O)O
• WGK 독일: 3
• 대체 CAS: 1072-86-2
• 분자량: 116.16
• Beilstein: 3193810
• Reaxy-Rn: 2036627
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036627&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclic alcohols and derivatives 1,2-diols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - 1,2-diol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• External Descriptors: cyclohexane-1,2-diol

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

• 용해성: Soluble in chloroform and methanol.
• 감도: Hygroscopic
• 발화점(°F): 134℃
• 발화점(°C): 134℃
• 끓는점(°C): 120°C
• 녹는점(°C): 100-104°C
• 분자량: 116.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

1. Changshuai Shen, Wenli Li, Cairong Zhou.  (2016)  Investigation on molar heat capacity, standard molar enthalpy of combustion for guaiacol and acetyl guaiacol ester.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2016.05.004]

2. Huiwen Zhao, Guofei Chen, Yu Zhou, Xing Li, Xingzhong Fang.  (2015)  Synthesis and characterization of organosoluble and transparent polyimides derived from trans-1,2-bis(3,4-dicarboxyphenoxy)cyclohexane dianhydride.  JOURNAL OF APPLIED POLYMER SCIENCE,  132  (30):   [PMID:] [10.1002/app.42317]