1,3-Dioxolane-2,2-diethanol - ≥97% , CAS No.5694-95-1

CAS: 5694-95-1 Cat. No.: D698131 분자식: C₇H₁₄O₄ 분자량: 162.18 EC 번호: 877-780-1

등급 & 순도 ≥97%

Synonyms

2,2'-(1,3-Dioxolane-2,2-diyl)diethanol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

사양

동의어

2,2'-(1,3-Dioxolane-2,2-diyl)diethanol

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%

이름과 식별자

Pubchem Sid

528753729

정식 스마일

C1COC(O1)(CCO)CCO

IUPAC Name

2-[2-(2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol

InChIKey

OQISMXPUYQRVLR-UHFFFAOYSA-N

INCHI

1S/C7H14O4/c8-3-1-7(2-4-9)10-5-6-11-7/h8-9H,1-6H2

이성체 SMILES

C1COC(O1)(CCO)CCO

분자량

162.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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
• 분자량: 162.180 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 162.089 Da
• Monoisotopic Mass: 162.089 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 101.000
• 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