Phenoxyethyl isobutyrate - ≥98% , CAS No.103-60-6

CAS: 103-60-6 Cat. No.: P117682 Formula: C₁₂H₁₆O₃ Peso molecolare: 208.25 Beilstein Registry Number: 6(3)572 Numero EC: 203-127-1

GRADE & PURITY ≥98%

Synonyms

Phenoxyethyl isobutyrate | MFCD00027363 | phenoxyethylisobutyrat | Tox21_301056 | UNII-43ENB1627Z | BRN 2215248 | .beta.-Phenoxyethyl iso-butyrate | NSC227210 | NSC-227210 | EC 203-127-1 | DTXSID7042279 | FT-0613287 | EINECS 203-127-1 | 2-Phenoxyethyl iso

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Phenoxyethyl isobutyrate | MFCD00027363 | phenoxyethylisobutyrat | Tox21_301056 | UNII-43ENB1627Z | BRN 2215248 | .beta.-Phenoxyethyl iso-butyrate | NSC227210 | NSC-227210 | EC 203-127-1 | DTXSID7042279 | FT-0613287 | EINECS 203-127-1 | 2-Phenoxyethyl iso

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504753738

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753738

Sorrisi canonici

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

IUPAC Name

2-phenoxyethyl 2-methylpropanoate

InChIKey

MJTPMXWJHPOWGH-UHFFFAOYSA-N

INCHI

1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

Isomeri SMILES

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

WGK Germania

1

RTECS

UA2470910

Peso molecolare

208.25

Beilstein

6(3)572

Reaxy-Rn

2215248

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2215248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.4920 to 1.4960
• Punto di infiammabilità (°F): 113 oC
• Punto di infiammabilità (°C): 113oC
• Punto di ebollizione (°C): 127°C
• Peso molecolare: 208.250 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.11 Da
• Monoisotopic Mass: 208.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 183.000
• 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