Results for:
PubChem ID: 8314

2-methylbutanoic Acid

Mass-Spectra

Compound Details

Synonymous names	2-Methylbutanoic acid 2-METHYLBUTYRIC ACID 116-53-0 DL-2-Methylbutyric acid Butanoic acid, 2-methyl- Ethylmethylacetic acid 600-07-7 Methylethylacetic acid 2-Methybutyric acid Carbomer 934 Active valeric acid Butyric acid, 2-methyl- alpha-Methylbutyric acid Methylbutyric acid 2-methyl-butanoic acid FEMA No. 2695 9007-16-3 alpha-methyl butyric Acid NSC 7304 (+/-)-2-Methylbutyric acid 2-methyl-butyric acid PX7ZNN5GXK .alpha.-Methylbutyric acid DL-2-Methyl-d3-butyricAcid DTXSID5021621 CHEBI:37070 (S)-(+)-2-MethylbutyricAcid-d3 NSC-7304 MFCD00002669 Carbopol 934 DTXCID301621 (R)-2-Methylbutyric Acid-d3 Valeric acid, active Butanoic acid, methyl- Methylbutyricacid 2-Methylbutyric acid (VAN) CAS-116-53-0 Carbopol 974P 2-Methylbutyric acid (natrual) (+)-2-methylbutanoic acid UNII-PX7ZNN5GXK EINECS 204-145-2 EINECS 209-982-7 (1)-2-Methylbutyric acid BRN 1098537 AI3-24202 MFCD09029093 Ethylmethylacetate 2-Ethylpropionate 2-Methyl Butyrate 1346617-08-0 2-METHYLBUTANOIC ACID (DL) 2-Methylbutanoicacid DL-2-Methylbutyrate 2-Ethylpropionic acid D-2-Methyl Butyrate D-2-Methylbutyricacid DL-2-Methy Butyrate DL-2-Methylbutyricacid butane-2-carboxylic acid rac-2-methylbutanoic acid D-2-Methyl Butyric acid DL-2-Methy Butyric acid 2-METHYLBUTYRICACID (+/-)-2-Methylbutyrate EC 204-145-2 SCHEMBL49960 2-Methyl-Butyric Acid Anion 2-Methylbutyric acid, 98% (RS)-2-methyl-butyric acid 4-02-00-00889 (Beilstein Handbook Reference) MLS001055480 Carbomer 934 [USAN:NF] CHEMBL1160012 NSC7304 (.+/-.)-2-Methylbutanoic acid HMS2270O06 2-METHYLBUTYRIC ACID, DL- 2-METHYLBUTYRIC ACID [FCC] 2-METHYLBUTYRIC ACID [FHFI] Tox21_201807 Tox21_303584 LMFA01020072 2-Methylbutyric acid, >=98%, FG Butanoic acid, 2-methyl-, (+ -) DL-.ALPHA.-METHYLBUTYRIC ACID AKOS000121120 AKOS016843247 CS-W001942 MCULE-5615925204 SB47880 NCGC00090971-01 NCGC00090971-02 NCGC00257513-01 NCGC00259356-01 2-Methylbutyric acid, analytical standard AM802977 PD041098 SMR000112113 SY115833 DB-003300 M0181 NS00007338 EN300-27063 C18319 Q209433 J-509893 (+/-)-2-Methylbutyric acid, natural, >=98%, FG F0001-0289 Z237374874 (2R)-(-)-2-methylbutyric acid;R)-(-)-2-methylbutanoic acid
Microorganism:	Yes
IUPAC name	2-methylbutanoic acid
SMILES	CCC(C)C(=O)O
Inchi	InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
Formula	C5H10O2
PubChem ID	8314
Molweight	102.13
LogP	1.2
Atoms	7
Bonds	2
H-bond Acceptor	2
H-bond Donor	1
Chemical Classification	acids carboxylic acids organic acids
CHEBI-ID	37070
Supernatural-ID	SN0413155

mVOC Specific Details

Boiling Point	Degree Reference 176 median
MS-Links	MS-MS Spectrum 12477 MS-MS Spectrum 19149 MS-MS Spectrum 19148 MS-MS Spectrum 17364 MS-MS Spectrum 10693 MS-MS Spectrum 19150 MS-MS Spectrum 12476 MS-MS Spectrum 12478 MS-MS Spectrum 17363 MS-MS Spectrum 6341 - EI-B (HITACHI M-80B) Positive MS-MS Spectrum 10691 MS-MS Spectrum 17365 MS-MS Spectrum 10692
1D-NMR-Links	1D NMR Spectrum 1860 - Varian 500 MHz 1H NMR 1D NMR Spectrum 3810 1D NMR Spectrum 4075
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009181

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Lactobacillus Plantarum NA Yang et al. 2022 Prokaryota Corynebacterium Striatum clinical isolate Lemfack et al. 2016 Prokaryota Staphylococcus Epidermidis NA Lemfack et al. 2016 Prokaryota Staphylococcus Epidermidis clinical isolate,nose Lemfack et al. 2016 Prokaryota Staphylococcus Epidermidis clinical isolate,catheter Lemfack et al. 2016 Prokaryota Staphylococcus Haemolyticus clinical isolate,human skin Lemfack et al. 2016 Prokaryota Staphylococcus Intermedius clinical isolate Lemfack et al. 2016 Prokaryota Staphylococcus Saccharolyticus clinical isolate Lemfack et al. 2016 Prokaryota Staphylococcus Schleiferi clinical isolate Lemfack et al. 2016 Prokaryota Staphylococcus Sciuri Southernflying squirrel skin Lemfack et al. 2016 Prokaryota Staphylococcus Sciuri clinical isolate Lemfack et al. 2016 Prokaryota Staphylococcus Warneri clinical isolate,human skin Lemfack et al. 2016 Prokaryota Staphylococcus Epidermidis NA Timm et al. 2018 Prokaryota Staphylococcus Aureus China Center of Industrial Culture collection Wang et al. 2018 Prokaryota Bacillus Tequilensis antifungal activity against the hyphae growth of Ceratocystis fimbriata rhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016 Xu et al. 2021 Prokaryota Staphylococcus Epidermidis DSMZ - Deutsche Sammlung von Mikroorganismen und Zellkulturen Verhulst et al. 2009 Prokaryota Staphylococcus Pasteuri antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants) fruits of tomato plants (Elpida F1, Enza Zaden) López et al. 2021 Prokaryota Bacillus Sp. antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants) NA López et al. 2021 Prokaryota Bacillus Amyloliquefaciens Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH Mülner et al. 2020 Prokaryota Staphylococcus Epidermidis American Type Culture Collection Jenkins and Bean 2020 Prokaryota Bacillus Velezensis NA Riu et al. 2022 Eukaryota Aspergillus Ustus NA Polizzi et al. 2012 Prokaryota Staphylococcus Aureus n/a NA Preti et al. 2009 Prokaryota Serratia Sp. n/a NA Bruce et al. 2004 Eukaryota Saccharomyces Cerevisiae n/a NA Bruce et al. 2004 Prokaryota Staphylococcus Xylosus n/a NA Schulz and Dickschat 2007 Prokaryota Staphylococcus Aureus National collection of type cultures (NCTC) UK Tait et al. 2014 Prokaryota Clostridium Difficile outbreak 2006 UK Rees et al. 2016 Prokaryota Staphylococcus Epidermidis DSMZ Verhulst et al. 2010 Prokaryota Staphylococcus Sciuri attract Episyrphus balteatus; induced E. balteatus oviposition from the gut flora of pea aphid Acyrthosiphon pisum honeydew Leroy et al. 2011 Prokaryota Lactobacillus Paracasei na na Pogačić et al. 2016 Prokaryota Stigmatella Aurantiaca n/a NA Dickschat et al. 2005_5 Prokaryota Azospirillum Brasilense promotion of performance of Chlorella sorokiniana Shih culture collection DSMZ 1843 Amavizca et al. 2017 Prokaryota Bacillus Pumilus promotion of performance of Chlorella sorokiniana Shih NA Amavizca et al. 2017 Eukaryota Muscodor Albus NA Ezra et al. 2004 Eukaryota Penicillium Sp. NA Ezra et al. 2004 Eukaryota Polyporus Sulfureus NA Ezra et al. 2004 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021 Lactobacillus Plantarum Zhang et al. 2023 Bacillus Thuringiensis Koilybayeva et al. 2023 Bacillus Toyonensis Koilybayeva et al. 2023 Bacillus Acidiproducens Koilybayeva et al. 2023 Bacillus Cereus Koilybayeva et al. 2023 Bacillus Safensis Koilybayeva et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Lactobacillus Plantarum ginkgo biloba kernel juice triple quadrupole GC-MS no Prokaryota Corynebacterium Striatum brain heart infusion medium Porapak / GC/MS no Prokaryota Staphylococcus Epidermidis brain heart infusion medium Porapak / GC/MS no Prokaryota Staphylococcus Haemolyticus brain heart infusion medium Porapak / GC/MS no Prokaryota Staphylococcus Intermedius brain heart infusion medium Porapak / GC/MS no Prokaryota Staphylococcus Saccharolyticus brain heart infusion medium Porapak / GC/MS no Prokaryota Staphylococcus Schleiferi brain heart infusion medium Porapak / GC/MS no Prokaryota Staphylococcus Sciuri brain heart infusion medium Porapak / GC/MS no Prokaryota Staphylococcus Warneri brain heart infusion medium Porapak / GC/MS no Prokaryota Staphylococcus Epidermidis TSA SPME, GC-MS no Prokaryota Staphylococcus Aureus Sodium chloride broth SPME, GC-MS no Prokaryota Bacillus Tequilensis LB media HS-SPME/GC-MS no Prokaryota Staphylococcus Epidermidis blood agar GC-MS no Prokaryota Staphylococcus Pasteuri TYB media GC-MS no Prokaryota Bacillus Sp. TYB media GC-MS no Prokaryota Bacillus Amyloliquefaciens nutrient agar HS-SPME/GC-MS no Prokaryota Staphylococcus Epidermidis BHI media, LB media, MHB media, TSB media HS-SPME/GC×GC-TOFMS no Prokaryota Bacillus Velezensis TSA media, sterile soil SPME/GC-MS no Eukaryota Aspergillus Ustus malt extract agar (MEA), wallpaper, plasterboard SPME/GC-MS no Prokaryota Staphylococcus Aureus Blood agar/chocolate blood aga HS-SPME/GC-MS no Prokaryota Serratia Sp. n/a n/a no Eukaryota Saccharomyces Cerevisiae n/a n/a no Prokaryota Staphylococcus Xylosus n/a n/a no Prokaryota Staphylococcus Aureus blood/choclate agar GC-Ms flame photometric detector no Prokaryota Clostridium Difficile brain heart infusion GCxGC-TOF-MS yes Prokaryota Staphylococcus Epidermidis CLSA, charcoal, GC-MS no Prokaryota Staphylococcus Sciuri 874 liquid medium SPME-GC/MS no Prokaryota Lactobacillus Paracasei curd-based broth medium GC/MS yes Prokaryota Stigmatella Aurantiaca n/a n/a no Prokaryota Azospirillum Brasilense TSA SPME-GC no Prokaryota Bacillus Pumilus TSA SPME-GC no Eukaryota Muscodor Albus no Eukaryota Penicillium Sp. no Eukaryota Polyporus Sulfureus no Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no Lactobacillus Plantarum Habanero pepper GC–IMS no Bacillus Thuringiensis bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L) GC–MS no Bacillus Toyonensis bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L) GC–MS no Bacillus Acidiproducens bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L) GC–MS no Bacillus Cereus bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L) GC–MS no Bacillus Safensis bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L) GC–MS no