Metaldehyde - ≥97% , CAS No.108-62-3

CAS: 108-62-3 Cat. No.: M110038 분자식: C₈H₁₆O₄ 분자량: 176.21 Beilstein Registry Number: 19(3/4)5643 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice,FedEx DG Service

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 504753741
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753741
• 정식 스마일: 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
• 이성체 SMILES: CC1OC(OC(OC(O1)C)C)C
• RTECS: XF9900000
• 대체 CAS: 9002-91-9； 37273-91-9
• UN 번호: 1332
• 포장 그룹: III
• 분자량: 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
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

Brassica napus (1186 Activities)

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Arion subfuscus (12 Activities)

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Deroceras panormitanum (1 Activities)

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Deroceras reticulatum (16 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water, water solubility: 0.02 w / W% (20 C), soluble in benzene and chloroform, slightly soluble in ethanol and ether.
• 감도: Light Sensitive,Heat Sensitive
• 발화점(°C): 55°C
• 끓는점(°C): 65°C
• 녹는점(°C): 246°C
• 분자량: 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

참고 문헌

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]