Results for:
PubChem ID: 7284

2-methylbutanal

Mass-Spectra

Compound Details

Synonymous names	Methylethylacetaldehyde alpha-Methylbutyraldehyde alpha-Methylbutyric aldehyde alpha-Methylbutanal BYGQBDHUGHBGMD-UHFFFAOYSA-N Methyl ethyl acetaldehyde 2-Methylbutyraldehyde .alpha.-Methylbutyraldehyde 2-Methylbutyric aldehyde 2-Methylbutyraldehyde, analytical standard 2-METHYLBUTANAL 2-Formylbutane 2-Ethylpropanal 2-methyl butyraldehyde Acetaldehyde, ethylmethyl- 2-methyl-butyraldehyde S-2-METHYLBUTANAL Nat.2-Methyl Butyraldehyde .alpha.-Methylbutanal .alpha.-Methylbutyric aldehyde sec-C4H9CHO AC1L1OF7 2-Methyl-Butanal 2-Methylbutyraldehyde (natural) KSC202Q5N AC1Q2S32 CTK1A2856 2- ethyl propanal 2-Methylbutyraldehyde, 95% alpha-2-Methyl-n-butanal WLN: VHY2&1 NSC77077 Butyraldehyde, 2-methyl- ACMC-209s6n 2-Methyl-1-butanal C02223 CCRIS 2944 2-methylbutan-1-al LS-2912 OR010846 OR231043 OR258853 DTXSID2021818 CHEMBL2270060 DSSTox_CID_1818 CHEBI:16182 Butanal, 2-methyl- ANW-40797 DSSTox_GSID_21818 2-Methylbutyraldehyde, natural, 98% NSC 77077 KB-25099 NSC-77077 AN-24338 MFCD00006984 DSSTox_RID_76346 2-Methylbutyraldehyde, >=95%, FG TR-032175 AI3-33276 RTR-032175 DB-057627 AKOS009107038 FEMA No. 2691 BRN 1633540 FT-0613025 I14-49148 96-17-3 Tox21_201242 Tox21_302866 CAS-96-17-3 NCGC00258794-01 NCGC00256324-01 NCGC00249003-01 EINECS 202-485-6 57456-98-1 MolPort-001-786-891 (.+/-.)-2-Methylbutanal Butanal, 2-methyl-, (2R)- 3-01-00-02813 (Beilstein Handbook Reference)
Microorganism:	Yes
IUPAC name	2-methylbutanal
SMILES	CCC(C)C=O
Inchi	InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
Formula	C5H10O
PubChem ID	7284
Molweight	86.134
LogP	1.31
Atoms	16
Bonds	15
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Aldehydes

mVOC Specific Details

MS-Links	MS-MS Spectrum 16742 MS-MS Spectrum 17804 MS-MS Spectrum 16744 MS-MS Spectrum 17805 MS-MS Spectrum 11133 MS-MS Spectrum 16743 MS-MS Spectrum 17806 MS-MS Spectrum 10072 MS-MS Spectrum 11132 MS-MS Spectrum 10071 MS-MS Spectrum 10070 MS-MS Spectrum 11134
MS-Links	GC-MS Spectrum 3148
1D-NMR-Links	1D NMR Spectrum 4004 1D NMR Spectrum 4291

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Tuber Panniferum n/a Prof. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Mauriello et al., 2004 Fungi Ceratocystis Sp. n/a Stotzky and Schenk, 1976 Fungi Thielaviopsis Basicola n/a Stotzky and Schenk, 1976 Bacteria Staphylococcus Epidermidis DSMZ Verhulst et al. 2010 Fungi Tuber Aestivum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al., 2003 Fungi Tuber Melanosporum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al., 2003 Bacteria Coagulase-negative Staphylococci n/a Hettinga et al., 2008 Bacteria Lactobacillus Helveticus CIRM449 na yoghurt Pogačić et al., 2016 Bacteria Proteus Spp. na from Microbial Type Culture Collection, Chandigarh and Sri Ramachandra University, Chennai, Tamilnadu, India Aarthi et al., 2014 Bacteria Staphylococcus Aureus n/a Hettinga et al., 2008 Bacteria Staphylococcus Sciuri na from the gut flora of pea aphid Acyrthosiphon pisum honeydew Leroy et al., 2011 Bacteria Staphylococcus Sp. n/a Schulz and Dickschat, 2007 Bacteria Streptococcus Dysgalactiae n/a Hettinga et al., 2008 Bacteria Streptococcus Uberis n/a Hettinga et al., 2008 Fungi Aspergillus Sp. Jelen and Grabarkiewicz-Szczesna 2007 Fungi Fusarium Graminearum 15AcDON n/a Busko et al., 2014 Fungi Fusarium Graminearum 15AcDON 1001ta n/a Busko et al., 2014 Fungi Fusarium Graminearum 15AcDON ZFR 29 n/a Busko et al., 2014 Fungi Fusarium Graminearum 15AcDON_4 n/a Busko et al., 2014 Fungi Fusarium Graminearum 15AcDON_5 n/a Busko et al., 2014 Fungi Fusarium Graminearum 15AcDON_6 n/a Busko et al., 2014 Fungi Fusarium Graminearum 15AcDON_7 n/a Busko et al., 2014 Fungi Fusarium Graminearum 15AcDON_8 n/a Busko et al., 2014 Fungi Fusarium Graminearum 15AcDON_9 n/a Busko et al., 2014 Fungi Fusarium Graminearum 3AcDON 1002t n/a Busko et al., 2014 Fungi Fusarium Graminearum 3AcDON 11791 n/a Busko et al., 2014 Fungi Fusarium Graminearum 3AcDON 1509 n/a Busko et al., 2014 Fungi Fusarium Graminearum 3AcDON 8046 n/a Busko et al., 2014 Fungi Fusarium Graminearum 3AcDON NRRL38369 n/a Busko et al., 2014 Fungi Fusarium Graminearum 3AcDON NRRL6394 n/a Busko et al., 2014 Fungi Fusarium Graminearum 3AcDON ZFR 15 n/a Busko et al., 2014 Fungi Fusarium Graminearum 3AcDON ZFR 37 n/a Busko et al., 2014 Fungi Fusarium Graminearum 3AcDON ZFR 51 n/a Busko et al., 2014 Fungi Fusarium Graminearum NIV n/a Busko et al., 2014 Fungi Fusarium Graminearum NIV ZFR 119 n/a Busko et al., 2014 Fungi Fusarium Graminearum NIV ZFR 23 n/a Busko et al., 2014 Fungi Fusarium Graminearum NIV ZFR 48 n/a Busko et al., 2014 Fungi Fusarium Graminearum NIV_5 n/a Busko et al., 2014 Fungi Fusarium Graminearum NIV_6 n/a Busko et al., 2014 Fungi Fusarium Graminearum NIV_7 n/a Busko et al., 2014 Fungi Fusarium Graminearum NIV_8 n/a Busko et al., 2014 Fungi Fusarium Graminearum NIV_9 n/a Busko et al., 2014 Fungi Fusarium Sp. Jelen and Grabarkiewicz-Szczesna 2007 Fungi Trichoderma Viride Hung et al., 2013 Fungi Tuber Aestivum n/a Prof. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Mauriello et al., 2004 Fungi Tuber Borchii n/a Prof. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Mauriello et al., 2004 Fungi Tuber Brumale n/a Prof. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Mauriello et al., 2004 Fungi Tuber Magnatum n/a Prof. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Mauriello et al., 2004 Fungi Tuber Melanosporum n/a Splivallo et al., 2007 Fungi Tuber Mesentericum n/a Prof. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Mauriello et al., 2004 Fungi Tuber Oligospermum n/a Prof. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata region Mauriello et al., 2004 Fungi Tuber Uncinatum n/a France, Italy, Switzerland, the UK, Austria, Romania, and Hungary Splivallo et al., 2012 Bacteria Escherichia Coli n/a Tait et al., 2014 Bacteria Klebsiella Pneumoniae n/a Tait et al., 2014 Bacteria Staphylococcus Aureus n/a Tait et al., 2014 Bacteria Bacillus Subtilis GB03 n/a Lee et al., 2012

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Tuber Panniferum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) Fungi Ceratocystis Sp. n/a n/a Fungi Thielaviopsis Basicola n/a n/a Bacteria Staphylococcus Epidermidis CLSA, charcoal, GC-MS no Fungi Tuber Aestivum n/a Headspace solid-phase microextraction (HS-SPME) combined with GC-MS Fungi Tuber Melanosporum n/a Headspace solid-phase microextraction (HS-SPME) combined with GC-MS Bacteria Coagulase-negative Staphylococci Milk HS-SPME/GC-MS Bacteria Lactobacillus Helveticus CIRM449 curd-based broth medium GC/MS Yes Bacteria Proteus Spp. LB broth GC/MS, FT-IR No Bacteria Staphylococcus Aureus Milk HS-SPME/GC-MS Bacteria Staphylococcus Sciuri 866 liquid medium SPME-GC/MS Bacteria Staphylococcus Sp. n/a n/a Bacteria Streptococcus Dysgalactiae Milk HS-SPME/GC-MS Bacteria Streptococcus Uberis Milk HS-SPME/GC-MS Fungi Aspergillus Sp. no Fungi Fusarium Graminearum 15AcDON yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 15AcDON 1001ta yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 15AcDON ZFR 29 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 15AcDON_4 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 15AcDON_5 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 15AcDON_6 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 15AcDON_7 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 15AcDON_8 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 15AcDON_9 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 3AcDON 1002t yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 3AcDON 11791 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 3AcDON 1509 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 3AcDON 8046 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 3AcDON NRRL38369 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 3AcDON NRRL6394 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 3AcDON ZFR 15 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 3AcDON ZFR 37 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum 3AcDON ZFR 51 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum NIV yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum NIV ZFR 119 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum NIV ZFR 23 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum NIV ZFR 48 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum NIV_5 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum NIV_6 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum NIV_7 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum NIV_8 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Graminearum NIV_9 yeast extract sucrose agar SPME/GC-MS Fungi Fusarium Sp. no Fungi Trichoderma Viride Malt extract agar Headspace volatiles collected with colomn/TD-GC-MS Yes Fungi Tuber Aestivum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) Fungi Tuber Borchii n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) Fungi Tuber Brumale n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) Fungi Tuber Magnatum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) Fungi Tuber Melanosporum n/a n/a Fungi Tuber Mesentericum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) Fungi Tuber Oligospermum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) Fungi Tuber Uncinatum n/a SPME-GC-MS Bacteria Escherichia Coli BHI Broth/ TS Broth/Glucose EF base broth GC-MS /Polar and non-polar GC Column Bacteria Klebsiella Pneumoniae BHI Broth/ TS Broth/Glucose EF base broth GC-MS /Polar and non-polar GC Column Bacteria Staphylococcus Aureus BHI Broth/ TS Broth/Glucose EF base broth GC-MS /Polar and non-polar GC Column Bacteria Bacillus Subtilis GB03 Tryptic soy agar SPME coupled with GC-MS