2-Ethoxyethyl acetate - AR, ≥98% , CAS No.111-15-9

CAS: 111-15-9 Cat. No.: E105183 분자식: C₆H₁₂O₃ 분자량: 132.16 Beilstein Registry Number: 1748677 EC 번호: 203-839-2

등급 & 순도 AR, ≥98%

Synonyms

2-Ethoxyethylester kyseliny octove [Czech] | Acetate de cellosolve [French] | Ethyl cellosolve acetaat [Dutch] | NCGC00091657-02 | Ektasolve EE acetate solvent | 2-Ethoxyethyl acetate, SAJ first grade, >=98.0% | NSC 8658 | NSC8658 | NSC-8658 | 2-Ethoxy-et

Storage

Room temperature

Shipped In

FedEx DG Service

사양

동의어

2-Ethoxyethylester kyseliny octove [Czech] | Acetate de cellosolve [French] | Ethyl cellosolve acetaat [Dutch] | NCGC00091657-02 | Ektasolve EE acetate solvent | 2-Ethoxyethyl acetate, SAJ first grade, >=98.0% | NSC 8658 | NSC8658 | NSC-8658 | 2-Ethoxy-et

사양 및 순도

AR, ≥98%

보관 조건

Room temperature

배송

FedEx DG Service

등급

AR

순수함

≥98%

이름과 식별자

Pubchem Sid

488180689

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180689

정식 스마일

CCOCCOC(=O)C

IUPAC Name

2-ethoxyethyl acetate

InChIKey

SVONRAPFKPVNKG-UHFFFAOYSA-N

INCHI

1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3

이성체 SMILES

CCOCCOC(=O)C

WGK 독일

2

RTECS

KK8225000

UN 번호

1172

포장 그룹

III

분자량

132.16

Beilstein

1748677

Reaxy-Rn

1748677

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748677&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 Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - 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: 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

관련 대상(인간)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

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

관련 대상(비인간)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water, miscible in most organic solvents such as aromatics.
• 굴절률: 1.406
• 발화점(°F): 126°F
• 발화점(°C): 51℃
• 끓는점(°C): 156°C
• 녹는점(°C): -61°C
• 분자량: 132.160 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.400
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does AR mean?

AR is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. AR is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 111-15-9, the molecular formula is C6H12O3, and the molecular weight is 132.16 g/mol. InChIKey SVONRAPFKPVNKG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.