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

CAS: 94-86-0 Cat. No.: E101501 분자식: C₁₁H₁₄O₂ 분자량: 178.23 Beilstein Registry Number: 6(2)918 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504763668
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763668
• 정식 스마일: 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+
• 이성체 SMILES: CCOC1=C(C=C(C=C1)/C=C/C)O
• WGK 독일: 2
• RTECS: SL3850000
• 분자량: 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
    • 분류 Phenol ethers

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

화학 및 물리적 특성

• 용해성: Insoluble in water; Soluble in Methanol
• 감도: light sensitive
• 끓는점(°C): 116°C
• 녹는점(°C): 86°C
• 분자량: 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