Ethyl formate - ≥99% , CAS No.109-94-4

CAS: 109-94-4 Cat. No.: E110414 분자식: C₃H₆O₂ 분자량: 74.08 Beilstein Registry Number: 906769 EC 번호: 203-721-0

GRADE & PURITY ≥99%

Synonyms

CHEBI:23990 | ETHYL FORMATE [FHFI] | FEMA No. 2434 | Mrowczan etylu [Polish] | UN 1190 | ETHYL FORMATE | Ethyl formate, SAJ special grade, >=97.0% | Formic acid, ethyl ester | CHEBI:52342 | FORMIC ACID,ETHYL ESTER

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice,FedEx DG Service

개요

Ethyl formate is an ethyl ester of formic acid. Its microwave spectrum indicates the presence of two isomeric forms having the ethyl group cis to the carbonyl oxygen atom but having different arrangement of the methyl group about the -CH2-O bond. Kinetics of its pyrolytic decomposition to the corresponding acid and alkene has been reported.

Specifications

동의어

CHEBI:23990 | ETHYL FORMATE [FHFI] | FEMA No. 2434 | Mrowczan etylu [Polish] | UN 1190 | ETHYL FORMATE | Ethyl formate, SAJ special grade, >=97.0% | Formic acid, ethyl ester | CHEBI:52342 | FORMIC ACID,ETHYL ESTER

사양 및 순도

≥99%

보관 조건

Store at 2-8°C,Argon charged,Desiccated

배송

Wet ice,FedEx DG Service

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순수함

≥99%

이름과 식별자

Pubchem Sid

508814974

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814974

정식 스마일

CCOC=O

IUPAC Name

ethyl formate

InChIKey

WBJINCZRORDGAQ-UHFFFAOYSA-N

INCHI

1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3

이성체 SMILES

CCOC=O

WGK 독일

1

RTECS

LQ8400000

UN 번호

1190

포장 그룹

II

분자량

74.08

Beilstein

906769

Reaxy-Rn

906769

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906769&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: ethyl ester - formate ester

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

관련 대상(인간)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Miscible with water, benzene, alcohol, ether, acetone and most organic solvents.
• 감도: Heat & Moisture sensitive.
• 굴절률: 1.359
• 발화점(°F): -4.0 °F - closed cup
• 발화점(°C): -20℃
• 끓는점(°C): 54°C
• 녹는점(°C): -80°C
• 분자량: 74.080 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 74.0368 Da
• Monoisotopic Mass: 74.0368 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 26.100
• 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