Ethyl 2-Ethoxybenzoate - ≥98%(GC) , CAS No.6290-24-0

CAS: 6290-24-0 Cat. No.: E156533 분자식: C₁₁H₁₄O₃ 분자량: 194.23 EC 번호: 613-104-1

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID20278183 | MFCD00142907 | SCHEMBL536025 | SY052597 | Ethyl 2-ethoxybenzoate, AldrichCPR | 2-Ethoxybenzoic Acid Ethyl Ester | Ethyl 2-ethoxybenzoate | Ethyl 2-Ethoxy-benzoate | NSC6584 | NSC-6584 | AC-11541 | D87677 | AKOS008948359 | NSC 6584 | AS-12

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

DTXSID20278183 | MFCD00142907 | SCHEMBL536025 | SY052597 | Ethyl 2-ethoxybenzoate, AldrichCPR | 2-Ethoxybenzoic Acid Ethyl Ester | Ethyl 2-ethoxybenzoate | Ethyl 2-Ethoxy-benzoate | NSC6584 | NSC-6584 | AC-11541 | D87677 | AKOS008948359 | NSC 6584 | AS-12

사양 및 순도

≥98%(GC)

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

504757905

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757905

정식 스마일

CCOC1=CC=CC=C1C(=O)OCC

IUPAC Name

ethyl 2-ethoxybenzoate

InChIKey

OUZCDRGUTZLAGO-UHFFFAOYSA-N

INCHI

1S/C11H14O3/c1-3-13-10-8-6-5-7-9(10)11(12)14-4-2/h5-8H,3-4H2,1-2H3

이성체 SMILES

CCOC1=CC=CC=C1C(=O)OCC

분자량

194.23

Reaxy-Rn

2575793

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2575793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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: Moisture sensitive
• 굴절률: 1.5510 to 1.5550
• 끓는점(°C): 118°C/4mmHg
• 분자량: 194.230 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094 Da
• Monoisotopic Mass: 194.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 179.000
• 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