Metaldehyde - analytical standard, ≥97% , CAS No.108-62-3

CAS: 108-62-3 Cat. No.: M110037 分子式: C₈H₁₆O₄ 分子量: 176.21 Beilstein Registry Number: 19(3/4)5643 EC番号: 203-600-2

GRADE & PURITY Analytical standard, ≥97%

Synonyms

Blitzem | Metaldeide [Italian] | 1,3,5,7-Tetroxocane, 2,4,6,8-tetramethyl- | FT-0693272 | M0076 | HSDB 1735 | MFCD00134115 | Acetaldehyde Tetramer | Cekumeta | 2,4,6,8-Tetramethyl-1,3,5,7-tetraoxocane | Ariotox | Metacetaldehyde | AI3-15376 | Defender | M

Storage

Room temperature

Shipped In

FedEx DG Service

概要

2,4,6,8-Tetramethyl-1,3,5,7-Tetraoxacyclooctane is a compound that has been proposed as a potential pesticide
A compound that has been proposed as a potential pesticide

Specifications

同義語

Blitzem | Metaldeide [Italian] | 1,3,5,7-Tetroxocane, 2,4,6,8-tetramethyl- | FT-0693272 | M0076 | HSDB 1735 | MFCD00134115 | Acetaldehyde Tetramer | Cekumeta | 2,4,6,8-Tetramethyl-1,3,5,7-tetraoxocane | Ariotox | Metacetaldehyde | AI3-15376 | Defender | M

仕様と純度

analytical standard, ≥97%

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

純度

≥97%

名前と識別子

• パブケム・シド: 528771116
• カノニカル・スマイル: CC1OC(OC(OC(O1)C)C)C
• IUPAC Name: 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane
• InChIKey: GKKDCARASOJPNG-UHFFFAOYSA-N
• INCHI: 1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3
• 異性体SMILES: CC1OC(OC(OC(O1)C)C)C
• RTECS: XF9900000
• 代替CAS番号: 9002-91-9； 37273-91-9
• UN番号: 1332
• 包装グループ: III
• 分子量: 176.21
• Beilstein: 19(3/4)5643
• Reaxy-Rn: 107739
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107739&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Organoheterocyclic compound - Acetal - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• External Descriptors: Molluscacide

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water, water solubility: 0.02 w / W% (20 C), soluble in benzene and chloroform, slightly soluble in ethanol and ether.
• 引火点（°C）: 55°C
• 沸点（°C）: 65°C
• 融点（°C）: 246°C
• 分子量: 176.210 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 176.105 Da
• Monoisotopic Mass: 176.105 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 91.000
• 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

参考文献

1. Zhengyi Chen, Gongke Li, Zhuomin Zhang.  (2019)  Miniaturized array gas membrane separation strategy for rapid analysis of complex samples by surface-enhanced Raman scattering.  ANALYTICA CHIMICA ACTA,      [PMID:31005148] [10.1016/j.aca.2019.03.031]