trans-2-Ethoxy-5-(1-propenyl)phenol - ≥98% , CAS No.94-86-0

CAS: 94-86-0 Cat. No.: E101501 分子式: C₁₁H₁₄O₂ 分子量: 178.23 Beilstein Registry Number: 6(2)918 EC番号: 202-370-0

GRADE & PURITY ≥98%

Synonyms

6-ethoxy- | AS-9932 | m-Anol | Propenyl guaethol [II] | 2-Ethoxy-5-propenylphenol | 2-Ethoxy-5-propenyl-phenol | DTXCID1027716 | FEMA No. 2922 | DTXSID7047726 | FEMA 2922 | (E)-2-ethoxy-5-(prop-1-enyl)phenol | 1-Ethoxy-2-hydroxy-4-propenylbenzene | Phenol

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

同義語

6-ethoxy- | AS-9932 | m-Anol | Propenyl guaethol [II] | 2-Ethoxy-5-propenylphenol | 2-Ethoxy-5-propenyl-phenol | DTXCID1027716 | FEMA No. 2922 | DTXSID7047726 | FEMA 2922 | (E)-2-ethoxy-5-(prop-1-enyl)phenol | 1-Ethoxy-2-hydroxy-4-propenylbenzene | Phenol

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light

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

504763668

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763668

カノニカル・スマイル

CCOC1=C(C=C(C=C1)C=CC)O

IUPAC Name

2-ethoxy-5-[(E)-prop-1-enyl]phenol

InChIKey

RADIRXJQODWKGQ-HWKANZROSA-N

INCHI

1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+

異性体SMILES

CCOC1=C(C=C(C=C1)/C=C/C)O

WGKドイツ

2

RTECS

SL3850000

分子量

178.23

Beilstein

6(2)918

Reaxy-Rn

2097205

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2097205&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Styrenes Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Styrene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• 溶解度: Insoluble in water; Soluble in Methanol
• 感度: light sensitive
• 沸点（°C）: 116°C
• 融点（°C）: 86°C
• 分子量: 178.230 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099 Da
• Monoisotopic Mass: 178.099 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1