Results for:
PubChem ID: 11363

1-phenylpropane-1,2-dione

Mass-Spectra

Compound Details

Synonymous names	Phenylmethyldiketone Methylphenylglyoxal Pyruvophenone Acetylbenzoyl Benzoylacetyl BVQVLAIMHVDZEL-UHFFFAOYSA-N alpha-keto-propiophenone Phenyl methyl diketone Methyl phenyl diketone Acetyl benzoyl Methyl phenyl glyoxal Benzoyl methyl ketone ACMC-1ATOH ZB5XA3GD0I UNII-ZB5XA3GD0I KSC494S9L AC1L1X71 Phenyl-1,2-Propanedione NSC7643 P0210 BDBM22724 CTK3J4995 CHEMBL192258 NE10607 SCHEMBL180411 C17268 CCRIS 6297 AK116651 OR108656 OR011085 DTXSID3060372 DNC005431 SCHEMBL8670415 NSC-7643 SBB064017 NSC 7643 CHEBI:63552 A831668 ZINC1683675 1-PHENYL-1,2-PROPANEDIONE 1-Phenylpropane-1,2-dione 1-phenyl-1,2-dioxopropane KB-13080 AN-21476 ST2415466 3-Phenyl-2,3-propanedione CJ-27768 CJ-06351 SC-81678 AB1006062 AJ-29774 ANW-32826 ZINC01683675 1-phenyl-1,2-propandione MFCD00008755 RT-002303 ST45024211 AI3-23868 AM20040761 DB-003204 LS-179806 W-105429 AKOS003382258 4CH-014605 1-phenyl-1,2-propane dione 1-Phenyl-propane-1,2-dione FEMA No. 3226 FT-0608215 579-07-7 1,2-Propanedione, 1-phenyl- MCULE-5571144917 EINECS 209-435-2 30581-69-2 1-Phenyl-1,2-propanedione, 99% MolPort-001-780-114 1-Phenyl-1,2-propanedione, 98%, FG InChI=1/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H
Microorganism:	Yes
IUPAC name	1-phenylpropane-1,2-dione
SMILES	CC(=O)C(=O)C1=CC=CC=C1
Inchi	InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
Formula	C9H8O2
PubChem ID	11363
Molweight	148.161
LogP	1.82
Atoms	19
Bonds	19
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Benzenoids Ketones

mVOC Specific Details

MS-Links

MS-MS Spectrum 170688 MS-MS Spectrum 170689 MS-MS Spectrum 104412 MS-MS Spectrum 170690 MS-MS Spectrum 104414 MS-MS Spectrum 104413

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Loktanella Sp. Bio-204 n/a Dickschat et al., 2005_4 Bacteria Burkholderia Ambifaria LMG 17828 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere Groenhagen et al., 2013 Bacteria Burkholderia Ambifaria LMG 19182 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere Groenhagen et al., 2013 Bacteria Loktanella Sp. n/a Schulz and Dickschat, 2007

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Loktanella Sp. Bio-204 n/a n/a Bacteria Burkholderia Ambifaria LMG 17828 Luria-Bertani medium, Malt Extract n/a Bacteria Burkholderia Ambifaria LMG 19182 Luria-Bertani medium, Malt Extract n/a Bacteria Loktanella Sp. n/a n/a