Results for:
PubChem ID: 521013

3-butyl-2,5-dimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names	3-Butyl-2,5-dimethylpyrazine 2,5-Dimethyl-3-butylpyrazine 2-butyl-3,6-dimethylpyrazine Pyrazine, 3-butyl-2,5-dimethyl- 40790-29-2 SCHEMBL10392527 CHEBI:198442 UWJKKFNWVRAFPM-UHFFFAOYSA-N DB-117186 NS00114097
Microorganism:	Yes
IUPAC name	3-butyl-2,5-dimethylpyrazine
SMILES	CCCCC1=NC(=CN=C1C)C
Inchi	InChI=1S/C10H16N2/c1-4-5-6-10-9(3)11-7-8(2)12-10/h7H,4-6H2,1-3H3
Formula	C10H16N2
PubChem ID	521013
Molweight	164.25
LogP	2.3
Atoms	12
Bonds	3
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	aromatic compounds nitrogen compounds heterocyclic compounds pyrazines
CHEBI-ID	198442
Supernatural-ID	SN0381893

mVOC Specific Details

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Escherichia Coli NA NA Dixon et al. 2022 Prokaryota Staphylococcus Aureus American Type Culture Collection Jenkins and Bean 2020 Prokaryota Sulfitobacter Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Loktanella Sp. n/a NA Dickschat et al. 2005_4 Prokaryota Dinoroseobacter Shibae n/a NA Dickschat et al. 2005_4 Prokaryota Loktanella Hongkongensis n/a NA Dickschat et al. 2005_6 Prokaryota Dinoroseobacter Shibae n/a NA Dickschat et al. 2005_6 Prokaryota Sulfitobacter Pontiacus n/a NA Dickschat et al. 2005_6 Prokaryota Sulfitobacter Dubius n/a NA Dickschat et al. 2005_6

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Escherichia Coli LB TD/GC-MS no Prokaryota Staphylococcus Aureus BHI media, LB media, TSB media HS-SPME/GC×GC-TOFMS no Prokaryota Sulfitobacter Sp. n/a n/a no Prokaryota Loktanella Sp. n/a n/a no Prokaryota Dinoroseobacter Shibae n/a n/a no Prokaryota Loktanella Hongkongensis n/a n/a no Prokaryota Sulfitobacter Pontiacus n/a n/a no Prokaryota Sulfitobacter Dubius n/a n/a no