Ethyl formate - anhydrous, ≥98% , CAS No.109-94-4

CAS: 109-94-4 Cat. No.: E139940 분자식: C₃H₆O₂ 분자량: 74.08 Beilstein Registry Number: 906769 EC 번호: 203-721-0

GRADE & PURITY Anhydrous Grade, ≥98%

Synonyms

ETHYL FORMATE|109-94-4|Formic acid, ethyl ester|Areginal|Ethyl methanoate|Formic acid ethyl ester|Ethyl formic ester|Aethylformiat|Formic ether|Ethylformiaat|Mrowczan etylu|Carboxylic acid oxaethane|Ethyle (formiate d')|Etile (formiato di)|Caswell No. 443

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

동의어

ETHYL FORMATE | 109-94-4 | Formic acid, ethyl ester | Areginal | Ethyl methanoate | Formic acid ethyl ester | Ethyl formic ester | Aethylformiat | Formic ether | Ethylformiaat | Mrowczan etylu | Carboxylic acid oxaethane | Ethyle (formiate d') | Etile (formiato di) | Caswell No. 443

사양 및 순도

anhydrous, ≥98%

보관 조건

Room temperature,Desiccated

배송

FedEx DG Service

등급

Anhydrous Grade

순수함

≥98%

이름과 식별자

Pubchem Sid

508814976

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: Soluble in water (105 g/l at 20 °C).
• 감도: 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