2-(oxolan-3-yl)ethan-1-ol - ≥97% , CAS No.130990-25-9

CAS: 130990-25-9 Cat. No.: E628196 分子式: C₆H₁₂O₂ 分子量: 116.16 EC番号: 842-823-5 PubChem CID: 11126225

GRADE & PURITY ≥97%

Synonyms

3-(2'-hydroxyethyl)tetrahydrofuran | BS-37292 | SY204924 | Z1138844344 | DTXSID10456039 | MFCD17078848 | AT28853 | AKOS012873262 | SCHEMBL2201463 | 2-(3-Tetrahydrofuryl)ethanol | 2-(oxolan-3-yl)ethanol | 2-(oxolan-3-yl)ethan-1-ol | SVNHEBUGYPWWOF-UHFFFAOY

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

3-(2'-hydroxyethyl)tetrahydrofuran | BS-37292 | SY204924 | Z1138844344 | DTXSID10456039 | MFCD17078848 | AT28853 | AKOS012873262 | SCHEMBL2201463 | 2-(3-Tetrahydrofuryl)ethanol | 2-(oxolan-3-yl)ethanol | 2-(oxolan-3-yl)ethan-1-ol | SVNHEBUGYPWWOF-UHFFFAOY

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

カノニカル・スマイル

C1COCC1CCO

IUPAC Name

2-(oxolan-3-yl)ethanol

InChIKey

SVNHEBUGYPWWOF-UHFFFAOYSA-N

INCHI

1S/C6H12O2/c7-3-1-6-2-4-8-5-6/h6-7H,1-5H2

異性体SMILES

C1COCC1CCO

代替CAS番号

130990-25-9

PubChem CID

11126225

分子量

116.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Oxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Oxolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxolanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxolane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.
• 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

化学的性質と物理的性質

• 分子量: 116.160 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 63.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1