Results for:
PubChem ID: 12988

3-methylbut-3-en-1-ol

Mass-Spectra

Compound Details

Synonymous names	3-METHYL-3-BUTEN-1-OL 3-Methylbut-3-en-1-ol 763-32-6 Isoprenol 3-Buten-1-ol, 3-methyl- Isobutenylcarbinol Methallylcarbinol 2-Methyl-1-buten-4-ol 3-Isopentenyl alcohol Isopropenylethyl alcohol 3-methyl-3-butenol Methallyl carbinol KJ25C8CPFA Methyl-3-but-3-en-1-ol 2-methyl-4-hydroxy-1-butene DTXSID4052506 NSC-122673 EINECS 212-110-8 UNII-KJ25C8CPFA NSC 122673 3-methyl-but-3-en-1-ol 3-methyl-3-butene-1-ol EC 212-110-8 3-methyl-3-butenyl alcohol Delta(3)-isopentenyl alcohol 2-methyl-4-hydroxybut-1-ene 3-METHYLENEBUTAN-1-OL 3-Methyl-3-buten-1-ol purum CHEMBL3561140 DTXCID8031079 CHEBI:62898 3-Methyl-3-buten-1-ol, 97% Tox21_303733 BBL027415 LMFA05000107 MFCD00002933 NSC122673 STL146351 3-Methyl-3-buten-1-ol, >=97% 4-HYDROXY-2-METHYL-1-BUTENE AKOS005721136 RP10202 SB83771 NCGC00357042-01 CAS-763-32-6 DB-241114 CS-0204343 M0726 NS00002088 EN300-94630 A838675 Q408094 3-Methyl-3-buten-1-ol, purum, >=98.0% (GC)
Microorganism:	Yes
IUPAC name	3-methylbut-3-en-1-ol
SMILES	CC(=C)CCO
Inchi	InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
Formula	C5H10O
PubChem ID	12988
Molweight	86.13
LogP	1.3
Atoms	6
Bonds	2
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	alcohols
CHEBI-ID	62898
Supernatural-ID	SN0052046

mVOC Specific Details

Boiling Point	Degree Reference 130 median
MS-Links	MS-MS Spectrum 51361 MS-MS Spectrum 121324 MS-MS Spectrum 51362 MS-MS Spectrum 51360 MS-MS Spectrum 121325 MS-MS Spectrum 121323

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Fumigatus NA NA Heddergott et al. 2014 Eukaryota Candida Albicans NA NA Fitzgerald et al. 2022 Eukaryota Candida Parapsilosis NA NA Fitzgerald et al. 2022 Prokaryota Escherichia Coli NA NA Fitzgerald et al. 2021 Prokaryota Pseudomonas Aeruginosa NA NA Fitzgerald et al. 2021 Prokaryota Staphylococcus Aureus NA NA Fitzgerald et al. 2021 Prokaryota Pseudomonas Aeruginosa NA NA Davis et al. 2020 Prokaryota Lactobacillus Plantarum NA Yang et al. 2022 Prokaryota Klebsiella Pneumoniae NA Rees et al. 2017 Prokaryota Staphylococcus Aureus Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH Fitzgerald et al. 2020 Prokaryota Pseudomonas Aeruginosa Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH Fitzgerald et al. 2020 Prokaryota Escherichia Coli Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH Fitzgerald et al. 2020 Prokaryota Staphylococcus Epidermidis strains were provided by Prof. O'Gara at NUI Galway Fitzgerald et al. 2020 Eukaryota Fusarium Oxysporum NA Moisan et al. 2021 Eukaryota Chaetomium Indicum NA Moisan et al. 2021 Prokaryota Staphylococcus Epidermidis American Type Culture Collection Jenkins and Bean 2020 Eukaryota Malassezia Globosa Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands) Rios-Navarro et al. 2023 Eukaryota Malassezia Restricta Fungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands) Rios-Navarro et al. 2023 Prokaryota Streptomyces Albidoflavus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Rishiriensis n/a NA Schöller et al. 2002 Prokaryota Streptomyces Albus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Coelicolor n/a NA Schöller et al. 2002 Prokaryota Streptomyces Diastatochromogenes n/a NA Schöller et al. 2002 Prokaryota Streptomyces Griseus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Hirsutus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Murinus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Olivaceus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Thermoviolaceus n/a NA Schöller et al. 2002 Eukaryota Aspergillus Ornatus n/a NA Meruva et al. 2004 Eukaryota Rhizopus Stolonifer n/a NA Meruva et al. 2004 Prokaryota Streptomyces Antibioticus n/a NA Schöller et al. 2002 Prokaryota Staphylococcus Sciuri na from the gut flora of pea aphid Acyrthosiphon pisum honeydew Leroy et al. 2011 Eukaryota Aspergillus Versicolor na damp indoor environments, food products Sunesson et al. 1995 Prokaryota Streptomyces Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Albus n/a NA Schulz and Dickschat 2007 Prokaryota Staphylococcus Xylosus n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Caviscabies n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Sp. n/a NA Dickschat et al. 2005_2 Eukaryota Cryptococcus Nemorosus NA NA Ljunggren et al. 2019 Eukaryota Metschnikowia Andauensis NA NA Ljunggren et al. 2019 Eukaryota Metschnikowia Pulcherrima NA NA Ljunggren et al. 2019 Eukaryota Metschnikowia Fructicola NA NA Ljunggren et al. 2019 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021 Prokaryota Lactobacillus Plantarum NA NA Zhang et al. 2022 Eukaryota Meyerozyma Guilliermondii NA NA Zhao et al. 2022 Eukaryota Saturnispora Diversa NA NA Zhao et al. 2022 Eukaryota Wickerhamomyces Anomalus NA NA Zhao et al. 2022 Lentinula Edodes Geng et al. 2024 Lactobacillus Plantarum Zhang et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Fumigatus Brian alendronate supp. SPME/GC-MS no Eukaryota Candida Albicans TSB SPME/GC-MS no Eukaryota Candida Parapsilosis YPD SPME/GC-MS no Prokaryota Escherichia Coli BHI SPME/GC-MS no Prokaryota Escherichia Coli TSB SPME/GC-MS no Prokaryota Escherichia Coli LB SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa TSB SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa BHI SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa LB SPME/GC-MS no Prokaryota Staphylococcus Aureus TSB SPME/GC-MS no Prokaryota Staphylococcus Aureus LB SPME/GC-MS no Prokaryota Staphylococcus Aureus BHI SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa LB broth SPME/GCxGC-MS no Prokaryota Lactobacillus Plantarum ginkgo biloba kernel juice triple quadrupole GC-MS no Prokaryota Klebsiella Pneumoniae LB SPME / GCxGC-TOFMS no Prokaryota Staphylococcus Aureus TSB media HS-SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa TSB media HS-SPME/GC-MS no Prokaryota Escherichia Coli TSB media HS-SPME/GC-MS no Prokaryota Staphylococcus Epidermidis TSB media HS-SPME/GC-MS no Eukaryota Fusarium Oxysporum 1/5th PDA medium GC-MS no Eukaryota Chaetomium Indicum 1/5th PDA medium GC-MS no Prokaryota Staphylococcus Epidermidis BHI media HS-SPME/GC×GC-TOFMS no Eukaryota Malassezia Globosa modified Dixon agar HS-SPME/GC-MS no Eukaryota Malassezia Restricta modified Dixon agar HS-SPME/GC-MS no Prokaryota Streptomyces Albidoflavus n/a n/a no Prokaryota Streptomyces Rishiriensis n/a n/a no Prokaryota Streptomyces Albus n/a n/a no Prokaryota Streptomyces Coelicolor n/a n/a no Prokaryota Streptomyces Diastatochromogenes n/a n/a no Prokaryota Streptomyces Griseus n/a n/a no Prokaryota Streptomyces Hirsutus n/a n/a no Prokaryota Streptomyces Murinus n/a n/a no Prokaryota Streptomyces Olivaceus n/a n/a no Prokaryota Streptomyces Thermoviolaceus n/a n/a no Eukaryota Aspergillus Ornatus Potato dextrose agar Closedloop stripping analysis and GC/TOF-MS. no Eukaryota Rhizopus Stolonifer Potato dextrose agar and tobacco products. Closedloop stripping analysis and GC/TOF-MS. no Prokaryota Streptomyces Antibioticus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Staphylococcus Sciuri 868 liquid medium SPME-GC/MS no Eukaryota Aspergillus Versicolor DG18 GC/MS no Prokaryota Streptomyces Sp. n/a n/a no Prokaryota Staphylococcus Xylosus n/a n/a no Prokaryota Streptomyces Caviscabies n/a n/a no Eukaryota Cryptococcus Nemorosus liquid YPD medium GC-MS no Eukaryota Metschnikowia Andauensis liquid YPD medium GC-MS no Eukaryota Metschnikowia Pulcherrima liquid YPD medium GC-MS no Eukaryota Metschnikowia Fructicola liquid YPD medium GC-MS no Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no Prokaryota Lactobacillus Plantarum chickpea milk UHPLC/MS no Eukaryota Meyerozyma Guilliermondii synthetic grape juice HS-SPME no Eukaryota Saturnispora Diversa synthetic grape juice HS-SPME no Eukaryota Wickerhamomyces Anomalus synthetic grape juice HS-SPME no Lentinula Edodes Jiuqu (traditional wheat Qu) GC-IMS no Lactobacillus Plantarum Habanero pepper GC–IMS no