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

CAS: 111-15-9 Cat. No.: E105183 分子式: C₆H₁₂O₃ 分子量: 132.16 Beilstein Registry Number: 1748677 EC番号: 203-839-2

グレード＆純度 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

仕様

同義語

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

仕様と純度

AR, ≥98%

保管条件

Room temperature

入荷

FedEx DG Service

等級

AR

純度

≥98%

名前と識別子

パブケム・シド

488180689

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCOCCOC(=O)C

WGKドイツ

2

RTECS

KK8225000

UN番号

1172

包装グループ

III

分子量

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
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water, miscible in most organic solvents such as aromatics.
• 屈折率: 1.406
• 引火点（°F）: 126°F
• 引火点（°C）: 51℃
• 沸点（°C）: 156°C
• 融点（°C）: -61°C
• 分子量: 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

よくある質問

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.