Metaldehyde - ≥97% , CAS No.108-62-3

CAS: 108-62-3 Cat. No.: M110038 Molecular Weight: 176.21 Beilstein Registry Number: 19(3/4)5643 EC Number: 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

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

Overview

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

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504753741
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753741
• Canonical Smiles: 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
• Isomeric SMILES: CC1OC(OC(OC(O1)C)C)C
• RTECS: XF9900000
• Alternate CAS: 9002-91-9； 37273-91-9
• UN Number: 1332
• Packing Group: III
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, water solubility: 0.02 w / W% (20 C), soluble in benzene and chloroform, slightly soluble in ethanol and ether.
• Sensitivity: Light Sensitive,Heat Sensitive
• Flash Point(°C): 55°C
• Boil Point(°C): 65°C
• Melt Point(°C): 246°C
• Molecular Weight: 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

References

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]