loading...| Preferred Name |
phenylacetaldehyde |
|
| Synonyms |
phenylacetaldehyde Phenylacetaldehyde PHENYLACETALDEHYDE Benzacetaldehyde 2-phenylacetaldehyde alpha-tolualdehyde Phenacetaldehyde 1-Oxo-2-phenylethane Phenylacetic aldehyde alpha-Tolualdehyde 2-Phenylethanal alpha-phenylacetaldehyde alpha-toluic aldehyde Benzeneacetaldehyde Hyacinthin |
|
| Definitions |
An aldehyde that consists of acetaldehyde bearing a methyl substituent; the parent member of the phenylacetaldehyde class of compounds. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16424 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:21627324 MetaCyc:PHENYLACETALDEHYDE Beilstein:385791 KEGG:C00601 UM-BBD_compID:c0210 HMDB:HMDB0006236 PMID:16557466 DrugBank:DB02178 Reaxys:385791 Wikipedia:Phenylacetaldehyde PMID:21495722 CAS:122-78-1 PDBeChem:HY1 PMID:18954073 PMID:14698165 KNApSAcK:C00007535 |
|
| definition |
An aldehyde that consists of acetaldehyde bearing a methyl substituent; the parent member of the phenylacetaldehyde class of compounds. |
|
| formula |
C8H8O |
|
| has_alternative_id |
CHEBI:25972 CHEBI:43163 CHEBI:14778 CHEBI:8084 |
|
| has_exact_synonym |
phenylacetaldehyde Phenylacetaldehyde PHENYLACETALDEHYDE |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Benzacetaldehyde 2-phenylacetaldehyde alpha-tolualdehyde Phenacetaldehyde 1-Oxo-2-phenylethane Phenylacetic aldehyde alpha-Tolualdehyde 2-Phenylethanal alpha-phenylacetaldehyde alpha-toluic aldehyde Benzeneacetaldehyde Hyacinthin |
|
| id |
CHEBI:16424 |
|
| in_subset | ||
| inchi |
InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 |
|
| inchikey |
DTUQWGWMVIHBKE-UHFFFAOYSA-N |
|
| label |
phenylacetaldehyde |
|
| mass |
120.14850 |
|
| monoisotopicmass |
120.05751 |
|
| notation |
CHEBI:16424 |
|
| prefLabel |
phenylacetaldehyde |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_75772 http://purl.obolibrary.org/obo/CHEBI_77746 |
|
| smiles |
[H]C(=O)Cc1ccccc1 |
|
| subClassOf |