Metaldeído - ≥97% , CAS No.108-62-3

CAS: 108-62-3 Cat. No.: M110038 Fórmula: C₈H₁₆O₄ Peso molecular: 176.21 Beilstein Registry Number: 19(3/4)5643 Número CE: 203-600-2

GRADE & PURITY ≥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

Armazenar a 2-8°C, protegido da luz

Shipped In

Gelo húmido

Visão geral

o 2,4,6,8-Tetrametil-1,3,5,7-Tetraoxaciclooctano é um composto que foi proposto como potencial pesticida
Um composto que foi proposto como potencial pesticida

Specifications

Sinónimos

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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, protegido da luz

Enviado em

Gelo húmido

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504753741
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753741
• Sorrisos canónicos: 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
• SMILES isoméricas: CC1OC(OC(OC(O1)C)C)C
• RTECS: XF9900000
• CAS alternativo: 9002-91-9； 37273-91-9
• Número UN: 1332
• Grupo de embalagem: III
• Peso molecular: 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
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Alvos associados (não humanos)

Brassica napus (1186 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Arion subfuscus (12 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Deroceras panormitanum (1 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Deroceras reticulatum (16 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, water solubility: 0.02 w / W% (20 C), soluble in benzene and chloroform, slightly soluble in ethanol and ether.
• Sensibilidade: Light Sensitive,Heat Sensitive
• Ponto de inflamação (°C): 55°C
• Ponto de ebulição (°C): 65°C
• Ponto de fusão (°C): 246°C
• Peso molecular: 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

Referências

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]