ドデカメチルシクロヘキサシロキサン - ≥97%以上(GC) , CAS No.540-97-6

CAS: 540-97-6 Cat. No.: D154405 分子式: C₁₂H₃₆O₆Si₆ 分子量: 444.92 Beilstein Registry Number: 4(4)4129 EC番号: 208-762-8

GRADE & PURITY ≥97%(GC)

Synonyms

XHK3U310BA | DTXSID6027183 | MFCD00144215 | InChI=1/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3 | CYCLOHEXASILOXANE [INCI] | FT-0625566 | IUMSDRXLFWAGNT-UHFFFAOYSA- | AKOS015839990 | CYCLOMETHICONE 6 [USP-RS] | S

Storage

Room temperature

Shipped In

ノーマル

概要

環状揮発性メチルシロキサンに属するドデカメチルシクロヘキサシロキサンは、強力な環境汚染物質として同定されており、生物相、生物固体試料、土壌、堆積物試料、廃水などで最も顕著に検出される。これらの化合物は、家庭用製品、パーソナルケア製品、洗浄剤、シリコーンポリマー製造の前駆体として、香料の担体や溶剤として使用されている。

Specifications

同義語

XHK3U310BA | DTXSID6027183 | MFCD00144215 | InChI=1/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3 | CYCLOHEXASILOXANE [INCI] | FT-0625566 | IUMSDRXLFWAGNT-UHFFFAOYSA- | AKOS015839990 | CYCLOMETHICONE 6 [USP-RS] | S

仕様と純度

≥97%以上(GC)

保管条件

Room temperature

入荷

ノーマル

純度

≥97%(GC)

名前と識別子

パブケム・シド

488181222

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181222

カノニカル・スマイル

C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C

IUPAC Name

2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane

InChIKey

IUMSDRXLFWAGNT-UHFFFAOYSA-N

INCHI

1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3

異性体SMILES

C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C

WGKドイツ

3

RTECS

GW2328550

分子量

444.92

Beilstein

4(4)4129

Reaxy-Rn

1806235

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1806235&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • 分類 Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• 分類: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoheterosilanes
• Alternative Parents: Organic metalloid salts Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as organoheterosilanes. These are organosilicon compounds where the tetravalent silicon atom is linked to one or more heteroatoms.
• 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

• 感度: light sensitive
• 屈折率: 1.4
• 引火点（°C）: 105°C(lit.)
• 沸点（°C）: 245°C
• 分子量: 444.920 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 444.113 Da
• Monoisotopic Mass: 444.113 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 320.000
• 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

XLogP3

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 540-97-6, the molecular formula is C12H36O6Si6, and the molecular weight is 444.92 g/mol. InChIKey IUMSDRXLFWAGNT-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.