2,6-Diethylphenol - ≥98% , CAS No.1006-59-3

CAS: 1006-59-3 Cat. No.: D586111 分子式: C₁₀H₁₄O 分子量: 150.22 EC番号: 213-744-8

GRADE & PURITY ≥98%

Synonyms

Phenol, 2,6-diethyl- | 2,6-Diethylphenol, AldrichCPR | AM84301 | STK505573 | BRN 2207162 | DIE | H2O1DD3CAN | W-108949 | t-16ainh-a01 | 2,6-Diethyphenol | 3f35 | 4-06-00-03351 (Beilstein Handbook Reference) | A800254 | SCHEMBL199730 | UNII-FXC69FTD6U | AC

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

同義語

Phenol, 2,6-diethyl- | 2,6-Diethylphenol, AldrichCPR | AM84301 | STK505573 | BRN 2207162 | DIE | H2O1DD3CAN | W-108949 | t-16ainh-a01 | 2,6-Diethyphenol | 3f35 | 4-06-00-03351 (Beilstein Handbook Reference) | A800254 | SCHEMBL199730 | UNII-FXC69FTD6U | AC

仕様と純度

≥98%

保管条件

Store at 2-8°C,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 508807774
• カノニカル・スマイル: CCC1=C(C(=CC=C1)CC)O
• IUPAC Name: 2,6-diethylphenol
• InChIKey: METWAQRCMRWDAW-UHFFFAOYSA-N
• INCHI: 1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3
• 異性体SMILES: CCC1=C(C(=CC=C1)CC)O
• 分子量: 150.22
• Reaxy-Rn: 2207162
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207162&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• 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

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作用メカニズム

化学的性質と物理的性質

• 分子量: 150.220 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104 Da
• Monoisotopic Mass: 150.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 99.400
• 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