Formic Acid Phenethyl Ester - ≥95%(GC) , CAS No.104-62-1

CAS: 104-62-1 Cat. No.: F302132 Summenformel: C₉H₁₀O₂ Molekulargewicht: 150.18 EG-Nummer: 203-220-7

GRADE & PURITY ≥95%(GC)

Synonyms

2-Phenylethyl formate | AI3-18542 | Formic acid, 2-phenylethyl ester | Phenethyl formate (natural) | FEMA No. 2864 | Phenethyl formate | 2-Fenylethylester kyseliny mravenci | 3X97A637DJ | phenethylformate | IKDIJXDZEYHZSD-UHFFFAOYSA- | beta -phenylethyl f

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

2-Phenylethyl formate | AI3-18542 | Formic acid, 2-phenylethyl ester | Phenethyl formate (natural) | FEMA No. 2864 | Phenethyl formate | 2-Fenylethylester kyseliny mravenci | 3X97A637DJ | phenethylformate | IKDIJXDZEYHZSD-UHFFFAOYSA- | beta -phenylethyl f

Spezifikationen & Reinheit

≥95%(GC)

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

504751434

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751434

Kanonisches Lächeln

C1=CC=C(C=C1)CCOC=O

IUPAC Name

2-phenylethyl formate

InChIKey

IKDIJXDZEYHZSD-UHFFFAOYSA-N

INCHI

1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

Isomere SMILES

C1=CC=C(C=C1)CCOC=O

Molekulargewicht

150.18

Reaxy-Rn

2044524

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044524&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.5
• Flammpunkt (°C): 103°C(lit.)
• Siedepunkt (°C): 117°C|30mmHg(lit.)
• Molekulargewicht: 150.170 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 106.000
• 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