2-Hydroxymethyloxetane - ≥95% , CAS No.61266-70-4

CAS: 61266-70-4 Cat. No.: H157030 Summenformel: C₄H₈O₂ Molekulargewicht: 88.11 EG-Nummer: 807-688-9

GRADE & PURITY ≥95%

Synonyms

trans-Geranic acid methyl ester | A833134 | SCHEMBL1532465 | J-510196 | (S)-Oxetan-2-yl-methanol | STL556625 | rac-2-hydroxymethyloxetane | rac-2-hydroxymethyl-oxetane | AI3-36111 | Oxetan-2-ylmethanol | Oxetan-2-yl-methanol | (2S)-2-Oxetanylmethanol;2-Hy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

trans-Geranic acid methyl ester | A833134 | SCHEMBL1532465 | J-510196 | (S)-Oxetan-2-yl-methanol | STL556625 | rac-2-hydroxymethyloxetane | rac-2-hydroxymethyl-oxetane | AI3-36111 | Oxetan-2-ylmethanol | Oxetan-2-yl-methanol | (2S)-2-Oxetanylmethanol;2-Hy

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504767033
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767033
• Kanonisches Lächeln: C1COC1CO
• IUPAC Name: oxetan-2-ylmethanol
• InChIKey: PQZJTHGEFIQMCO-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2
• Isomere SMILES: C1COC1CO
• Molekulargewicht: 88.11
• Reaxy-Rn: 1361428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Brechungsindex: 1.45
• Flammpunkt (°C): 79 °C
• Siedepunkt (°C): 98°C/15mmHg(lit.)
• Molekulargewicht: 88.110 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 44.800
• 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