2-Ethoxy-4-formylphenyl Acetate - 10mM in DMSO , CAS No.72207-94-4

CAS: 72207-94-4 Cat. No.: E425663 분자식: C₁₁H₁₂O₄ 분자량: 208.21 EC 번호: 676-943-2

GRADE & PURITY 10mM in DMSO

Synonyms

s9337 | SR-01000242024-1 | SCHEMBL1254905 | (2-ethoxy-4-formylphenyl) acetate | 2-ethoxy-4-formylphenyl acetate | AKOS B004453 | 3-08-00-02030 (Beilstein Handbook Reference) | EN300-227951 | 2-ethoxy-4-formylphenylacetate | Ethylvanillin acetate | Ethyl v

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Maximum Absorption Wavelength:309(1-Butanol)nm

application：

4-Acetoxy-3-ethoxybenzaldehyde is used in organic synthesis. It is used as catalytic agent; petrochemical additive.

Specifications

동의어

s9337 | SR-01000242024-1 | SCHEMBL1254905 | (2-ethoxy-4-formylphenyl) acetate | 2-ethoxy-4-formylphenyl acetate | AKOS B004453 | 3-08-00-02030 (Beilstein Handbook Reference) | EN300-227951 | 2-ethoxy-4-formylphenylacetate | Ethylvanillin acetate | Ethyl v

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528769455
• 정식 스마일: CCOC1=C(C=CC(=C1)C=O)OC(=O)C
• IUPAC Name: (2-ethoxy-4-formylphenyl) acetate
• InChIKey: XRZFVPCFHPIMAD-UHFFFAOYSA-N
• INCHI: 1S/C11H12O4/c1-3-14-11-6-9(7-12)4-5-10(11)15-8(2)13/h4-7H,3H2,1-2H3
• 이성체 SMILES: CCOC1=C(C=CC(=C1)C=O)OC(=O)C
• 분자량: 208.21
• Reaxy-Rn: 3305672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3305672&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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

• 감도: Air Sensitive
• 녹는점(°C): 45 °C
• 분자량: 208.210 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.074 Da
• Monoisotopic Mass: 208.074 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 227.000
• 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