イソプロピルエーテル - 無水、99%以上、100ppmのBHTで安定化 , CAS No.108-20-3

CAS: 108-20-3 Cat. No.: I119694 分子式: C₆H₁₄O 分子量: 102.17 Beilstein Registry Number: 1731256 EC番号: 203-560-6

グレード＆純度 Anhydrous Grade, ≥99%, stabilized with 100ppm BHT

Synonyms

ジイソプロピルエーテル、純度98.5％以上（GC）｜ジイソプロピルエーテル｜UN1159｜ジ（2-プロピル）エーテル｜HSDB 624｜（iso-C3H7）2O｜ジイソプロピルエーテル、SAJ一級品、99.0％以上｜2-イソプロポキシプロパン｜2-イソプロポキシプロパン｜I0917｜2-（プロパン-2-イルオキシ）プロパン｜ISOP

Storage

遮光、常温

Shipped In

ノーマル

仕様

同義語

ジイソプロピルエーテル、純度98.5％以上（GC）｜ジイソプロピルエーテル｜UN1159｜ジ（2-プロピル）エーテル｜HSDB 624｜（iso-C3H7）2O｜ジイソプロピルエーテル、SAJ一級品、99.0％以上｜2-イソプロポキシプロパン｜2-イソプロポキシプロパン｜I0917｜2-（プロパン-2-イルオキシ）プロパン｜ISOP

仕様と純度

無水、99%以上、100ppmのBHTで安定化

保管条件

遮光、常温

入荷

ノーマル

等級

Anhydrous Grade

純度

≥99%

名前と識別子

パブケム・シド

504751506

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751506

カノニカル・スマイル

CC(C)OC(C)C

IUPAC Name

2-propan-2-yloxypropane

InChIKey

ZAFNJMIOTHYJRJ-UHFFFAOYSA-N

INCHI

1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3

異性体SMILES

CC(C)OC(C)C

WGKドイツ

1

RTECS

TZ5425000

UN番号

1159

包装グループ

II

分子量

102.17

Beilstein

1731256

Reaxy-Rn

1731256

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731256&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: Dialkyl ethers
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

• 屈折率: 1.3678
• 引火点（°C）: -28℃
• 沸点（°C）: 68-69 °C
• 融点（°C）: -60 °C
• 分子量: 102.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 102.104 Da
• Monoisotopic Mass: 102.104 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 33.400
• 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