cis-1,2-Cyclooctanediol - ≥98% , CAS No.27607-33-6

CAS: 27607-33-6 Cat. No.: C346997 분자식: C₈H₁₆O₂ 분자량: 144.21 EC 번호: 626-469-7

GRADE & PURITY ≥98%

Synonyms

cis-1,2-Cyclooctanediol | cis-1,2-cyclo-octanediol | cis-1,2-Cyclooctanediol, 99% | 1,2-Cyclooctanediol, (1R,2S)-rel- | (1R*,2S*)-1,2-Cyclooctanediol | SCHEMBL371486 | (1R,2S)-CYCLOOCTANE-1,2-DIOL | AS-76775 | MFCD00134226 | AKOS015915801 | Cis-cyclooctan

Storage

Room temperature

Shipped In

Normal

개요

cis-1,2-Cyclooctanediol is a 1,2-disubstituted acyclic ethylene glycol used to prepare suberic acid. It can undergo cyclocondensation with oxalyl chloride in the presence of triethylamine at 0°C to yield cyclic oxalate.

Specifications

동의어

cis-1,2-Cyclooctanediol | cis-1,2-cyclo-octanediol | cis-1,2-Cyclooctanediol, 99% | 1,2-Cyclooctanediol, (1R,2S)-rel- | (1R*,2S*)-1,2-Cyclooctanediol | SCHEMBL371486 | (1R,2S)-CYCLOOCTANE-1,2-DIOL | AS-76775 | MFCD00134226 | AKOS015915801 | Cis-cyclooctan

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488196887
• 정식 스마일: C1CCCC(C(CC1)O)O
• IUPAC Name: (1R,2S)-cyclooctane-1,2-diol
• InChIKey: HUSOFJYAGDTKSK-OCAPTIKFSA-N
• INCHI: 1S/C8H16O2/c9-7-5-3-1-2-4-6-8(7)10/h7-10H,1-6H2/t7-,8+
• 이성체 SMILES: C1CCC[C@@H]([C@@H](CC1)O)O
• 분자량: 144.21
• Reaxy-Rn: 2071372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2071372&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• 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

• 녹는점(°C): 78-80° C (lit.)
• 분자량: 144.210 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 81.300
• 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

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.

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 27607-33-6, the molecular formula is C8H16O2, and the molecular weight is 144.21 g/mol. InChIKey HUSOFJYAGDTKSK-OCAPTIKFSA-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.