Results for:
PubChem ID: 95609

4-hydroxyhexan-3-one

Mass-Spectra

Compound Details

Synonymous names	4-Hydroxyhexan-3-one Propioin 4-Hydroxy-3-hexanone 4984-85-4 Propionoin 3-Hexanone, 4-hydroxy- 3-Hydroxy-4-hexanone 3-Hydroxyhexan-4-one RB7X233LSR AI3-13026 Ethyl .alpha.-hydroxypropyl ketone NSC-23087 EINECS 225-637-3 -Hexanone, 4-hydroxy- UNII-RB7X233LSR (4R)-4-hydroxyhexan-3-one SCHEMBL108041 CHEBI:18351 SKCYVGUCBRYGTE-UHFFFAOYSA- DTXSID40863474 4-Hydroxy-3-hexanone, AldrichCPR NSC23087 LMFA12000029 MFCD00043572 NSC 23087 AKOS006228413 SB83904 (+/-)-4-HYDROXY-3-HEXANONE 11046-98-3 AI313026 AS-81700 AI3 13026 NS00045061 P0974 C02948 D92050 A827877 Q27103019 InChI=1/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3 52217-03-5
Microorganism:	Yes
IUPAC name	4-hydroxyhexan-3-one
SMILES	CCC(C(=O)CC)O
Inchi	InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
Formula	C6H12O2
PubChem ID	95609
Molweight	116.16
LogP	0.7
Atoms	8
Bonds	3
H-bond Acceptor	2
H-bond Donor	1
Chemical Classification	alcohols ketones
CHEBI-ID	18351

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008600

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Vibrio Parahaemolyticus China Center of Industrial Culture collection Wang et al. 2018 Eukaryota Tuber Aestivum na Tarsul (as normal forest); Daix (man made orchard) Molinier et al. 2015 Prokaryota Streptomyces Sp. NA Jones et al. 2017 Eukaryota Tuber Aestivum Burgundy region Molinier et al. 2015 Eukaryota Metschnikowia Lopburiensis NA NA Ljunggren et al. 2019

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Vibrio Parahaemolyticus Sodium chloride broth SPME, GC-MS no Eukaryota Tuber Aestivum na SPME-GC/MS no Prokaryota Streptomyces Sp. YPD agar GCxGC-TOFMS no Eukaryota Tuber Aestivum HS-SPME/GC-MS yes Eukaryota Metschnikowia Lopburiensis liquid YPD medium GC-MS no