Results for:
PubChem ID: 64832

3-(4-tert-butylphenyl)propanal

Compound Details

Synonymous names	3-(4-tert-butylphenyl)propanal 18127-01-0 Bourgeonal 3-(4-(tert-Butyl)phenyl)propanal Benzenepropanal, 4-(1,1-dimethylethyl)- 4-(1,1-Dimethylethyl)benzenepropanal 3-(4-tert-Butylphenyl)propionaldehyde p-tert-Butyldihydrocinnamaldehyde DTXSID6044808 Bourgeonal (>90%) H3XVS6E70V 3-(4-tert-butyl-phenyl)-propionaldehyde p-tert-Butylhydrocinnamic aldehyde EINECS 242-016-2 UNII-H3XVS6E70V BRN 2439407 4-(1,1-dimethylethyl)-benzenepropana EC 242-016-2 3-(p-t-butylphenyl)propanal SCHEMBL66122 CHEMBL3183621 DTXCID4024808 3-(4-tert-butylphenyl) propanal 3-(4-tert-Butylphenyl)propanal # Tox21_301249 BBL013552 MFCD00169819 p-tert-Butyl phenylpropyl-aldehyde 1 STK500257 AKOS005171397 MCULE-5158878980 3-(4-tert-Butyl-phenyl)propionaldehyde NCGC00256222-01 LS-01959 CAS-18127-01-0 3-(4-tert-Butylphenyl)propanal, AldrichCPR NS00002801 EN300-313411 G68276 A881005 Q895217 W-110473 Z57952816
Microorganism:	Yes
IUPAC name	3-(4-tert-butylphenyl)propanal
SMILES	CC(C)(C)C1=CC=C(C=C1)CCC=O
Inchi	InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3
Formula	C13H18O
PubChem ID	64832
Molweight	190.28
LogP	3.3
Atoms	14
Bonds	4
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	benzenoids aromatic compounds aldehydes aromatic aldehydes

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009153

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Staphylococcus Epidermidis NA Timm et al. 2018 Prokaryota Acinetobacter Radioresistens NA Timm et al. 2018 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Staphylococcus Epidermidis MOPS glucose SPME, GC-MS no Prokaryota Acinetobacter Radioresistens MOPS glucose SPME, GC-MS no Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no