3-エチルオキセタン-3-カルバルデヒド - ≥97% , CAS No.98485-37-1

CAS: 98485-37-1 Cat. No.: E178601 分子式: C₆H₁₀O₂ 分子量: 114.144 EC番号: 846-478-1

GRADE & PURITY ≥97%

Synonyms

WBBLZANXGQZNNM-UHFFFAOYSA-N | SY042116 | Z1255359557 | 3-Ethyl-oxetane-3-carbaldehyde | 3-ethyloxetane-3-carbaldehyde | YDA48537 | PB22942 | 3-ETHYL-3-OXETANECARBOXALDEHYDE | DTXSID10704082 | 3-ethyloxetane-3-carboxaldehyde | MFCD18382018 | SCHEMBL1489483

Storage

室温

Shipped In

ノーマル

Specifications

同義語

WBBLZANXGQZNNM-UHFFFAOYSA-N | SY042116 | Z1255359557 | 3-Ethyl-oxetane-3-carbaldehyde | 3-ethyloxetane-3-carbaldehyde | YDA48537 | PB22942 | 3-ETHYL-3-OXETANECARBOXALDEHYDE | DTXSID10704082 | 3-ethyloxetane-3-carboxaldehyde | MFCD18382018 | SCHEMBL1489483

仕様と純度

≥97%

保管条件

室温

入荷

ノーマル

純度

≥97%

名前と識別子

• カノニカル・スマイル: CCC1(COC1)C=O
• IUPAC Name: 3-ethyloxetane-3-carbaldehyde
• InChIKey: WBBLZANXGQZNNM-UHFFFAOYSA-N
• INCHI: 1S/C6H10O2/c1-2-6(3-7)4-8-5-6/h3H,2,4-5H2,1H3
• 異性体SMILES: CCC1(COC1)C=O
• 分子量: 114.144
• Reaxy-Rn: 6321473
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6321473&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 114.140 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.700
• 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

よくある質問

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 98485-37-1, the molecular formula is C6H10O2, and the molecular weight is 114.144 g/mol. InChIKey WBBLZANXGQZNNM-UHFFFAOYSA-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.