skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > ester > carboxylic ester > butyrate ester > phenethyl butyrate
organooxygen compound > carbonyl compound > carboxylic ester > butyrate ester > phenethyl butyrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > butyrate ester > phenethyl butyrate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > butyrate ester > phenethyl butyrate
... > organooxygen compound > ester > carboxylic ester > fatty acid ester > butyrate ester > phenethyl butyrate
... > organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > butyrate ester > phenethyl butyrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > butyrate ester > phenethyl butyrate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > butyrate ester > phenethyl butyrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > butyrate ester > phenethyl butyrate

Preferred term

phenethyl butyrate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C12H16O2

has_functional_parent

has_role

inchi

  • InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3

inchikey

  • WFNDDSQUKATKNX-UHFFFAOYSA-N

mass

  • 192.25420

monoisotopicmass

  • 192.11503

smiles

  • CCCC(=O)OCCc1ccccc1

subset

  • 3_STAR

synonym EXACT

  • 2-phenylethyl butanoate

synonym RELATED

  • butanoic acid 2-phenylethyl ester
  • Phenethyl 2-methylpropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87413

Download this concept:

RDF/XML TURTLE JSON-LD