2-Phenoxyethyl Acetate - ≥97%(GC) , CAS No.6192-44-5

CAS: 6192-44-5 Cat. No.: P140972 分子式: C₁₀H₁₂O₃ 分子量: 180.2 Beilstein Registry Number: 6(4)575 PubChem CID: 22568

GRADE & PURITY ≥97%(GC)

Synonyms

MFCD00059336 | GCC4DJI6TL | DTXSID30863706 | 4-06-00-00575 (Beilstein Handbook Reference) | ACETICACID2-PHENOXYETHYLESTER | GS-6870 | Phenoxyethyl acetate | .BETA.-PHENOXYETHYL ACETATE | ETHANOL, 2-PHENOXY-, ACETATE | beta-Phenoxyethyl acetate | Acetic ac

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

MFCD00059336 | GCC4DJI6TL | DTXSID30863706 | 4-06-00-00575 (Beilstein Handbook Reference) | ACETICACID2-PHENOXYETHYLESTER | GS-6870 | Phenoxyethyl acetate | .BETA.-PHENOXYETHYL ACETATE | ETHANOL, 2-PHENOXY-, ACETATE | beta-Phenoxyethyl acetate | Acetic ac

仕様と純度

≥97%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥97%(GC)

名前と識別子

パブケム・シド

504753088

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504753088

カノニカル・スマイル

CC(=O)OCCOC1=CC=CC=C1

IUPAC Name

2-phenoxyethyl acetate

InChIKey

WHFKYDMBUMLWDA-UHFFFAOYSA-N

INCHI

1S/C10H12O3/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

異性体SMILES

CC(=O)OCCOC1=CC=CC=C1

RTECS

KM0525000

PubChem CID

22568

分子量

180.2

Beilstein

6(4)575

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

化学的性質と物理的性質

• 屈折率: 1.51
• 引火点（°C）: 141°C
• 沸点（°C）: 231 °C
• 分子量: 180.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 150.000
• 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

よくある質問

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 6192-44-5, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey WHFKYDMBUMLWDA-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.