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Results for:
PubChem ID: 11160
Methyl 3-methylbutanoate
Mass-Spectra
Compound Details
Synonymous names
methylisovalerate
Methyl isovalerianate
Methyl isopentanoate
OQAGVSWESNCJJT-UHFFFAOYSA-N
Methyl isovalerate
Methyl isovalerate, analytical standard
Isovaleric Acid Methyl Ester
Methyl 3-methylbutanoate
Methyl 3-methylbutyrate
Methyl iso-valerate
AC1L1WQS
3-Methylbutanoic acid methyl
Methyl isovalerate (natural)
3-Methylbutanoic acid methyl ester
methyl 3-methyl butanoate
Isovaleric acid, methyl ester
KSC492I1L
UN2400
3-methyl-butyric acid methyl ester
CTK3J2415
METHYL (3-METHYL)BUTANOATE
I0198
SCHEMBL112862
ZINC391144
ACMC-1B229
DTXSID5060300
UN 2400
BBL011395
STL146498
OR019861
LS-2937
ZB011968
OR284399
CHEBI:89832
KB-54994
SC-81704
CJ-03473
AN-45898
ANW-32353
QPS4788198
Methyl isovalerate, >=99%, FG
BB_SC-6790
MFCD00042866
LMFA07010950
ZINC00391144
RT-000613
DB-003722
UNII-QPS4788198
Butanoic acid,3-methyl-, methyl ester
AKOS005721109
BRN 1699922
FEMA No. 2753
FT-0627534
556-24-1
I14-111196
Butanoic acid, 3-methyl-, methyl ester
MCULE-2808202854
Methyl isovalerate, >=98.0% (GC)
Methyl isovalerate [UN2400] [Flammable liquid]
EINECS 209-117-3
MolPort-003-930-982
Methyl isovalerate [UN2400] [Flammable liquid]
4-02-00-00897 (Beilstein Handbook Reference)
InChI=1/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H
Microorganism:
Yes
IUPAC name
methyl 3-methylbutanoate
SMILES
CC(C)CC(=O)OC
Inchi
InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
Formula
C
6
H
1
2
O
2
PubChem ID
11160
Molweight
116.16
LogP
1.35
Atoms
20
Bonds
19
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Esters
Ester
Ethers
mVOC Specific Details
MS-Links
MS-MS Spectrum 63791
MS-MS Spectrum 120792
MS-MS Spectrum 120793
MS-MS Spectrum 63790
MS-MS Spectrum 120794
MS-MS Spectrum 63789
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Streptomyces Antibioticus ETH 22014
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Aureofaciens ETH 13387
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Aureofaciens ETH 28832
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Hirsutus ATCC 19773
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Hygroscopicus ATCC 27438
n/a
Schoeller et al., 2002
Bacteria
Ralstonia Solanacearum
na
na
Spraker et al., 2014
Bacteria
Actinomycetes Spp.
n/a
Schulz and Dickschat, 2007
Bacteria
Collimonas Pratensis Ter91
n/a
Garbeva et al., 2013
Bacteria
Salinispora Tropica CNB-440
na
marine sediment
Groenhagen et al., 2016
Bacteria
Serratia Plymuthica PRI-2C
na
maize rhizosphere, Netherlands
Garbeva et al., 2014
Bacteria
Streptomyces Ciscaucasicus W214
potentially involved in antifungal activity
Cordovez et al., 2015
Bacteria
Streptomyces Ciscaucasicus W47
potentially involved in antifungal activity
Cordovez et al., 2015
Bacteria
Achromobacter Xylosoxidans AF411019
inhibition of nematicidal activity
Cow dung
Xu et al., 2015
Bacteria
Alcaligenes Faecalis YMF3·00172
na
na
Su et al., 2016
Bacteria
Arthrobacter Nicotianae JQ071518
inhibition of nematicidal activity
Cow dung
Xu et al., 2015
Bacteria
Bacillus Cereus YMF3·00019
na
na
Su et al., 2016
Bacteria
Dyella Sp. AD56
na
na
Tyc et al., 2015
Bacteria
Proteus Penneri YMF3·00016
na
na
Su et al., 2016
Bacteria
Proteus Vulgaris Sp.
na
na
Su et al., 2016
Bacteria
Providencia Rettgeri YMF3·00150
na
na
Su et al., 2016
Bacteria
Pseudochrobactrum Asaccharolyticum YMF3·00201
na
na
Su et al., 2016
Bacteria
Pseudochrobactrum Saccharolyticum AM180484
inhibition of nematicidal activity
Cow dung
Xu et al., 2015
Bacteria
Wautersiella Falsenii AM238687
inhibition of nematicidal activity
Cow dung
Xu et al., 2015
Fungi
Ceratocystis Fagacearum
Lin and Phelan 1992
Fungi
Phialophora Fastigiata Conant
na
na
Sunesson et al., 1995
Bacteria
Saccharomonospora Viridis DSM 43017
na
soil
Wilkins, 1996
Bacteria
Achromobacter Xylosoxidans AF411019
Nematicidal activity
cow dung
XU et al., 2015
Bacteria
Arthrobacter Nicotianae JQ071518
Nematicidal activity
cow dung
XU et al., 2015
Bacteria
Pseudochrobactrum Saccharolyticum AM180484
Nematicidal activity
cow dung
XU et al., 2015
Bacteria
Wautersiella Falsenii AM238687
Nematicidal activity
cow dung
XU et al., 2015
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Streptomyces Antibioticus ETH 22014
n/a
n/a
Bacteria
Streptomyces Aureofaciens ETH 13387
n/a
n/a
Bacteria
Streptomyces Aureofaciens ETH 28832
n/a
n/a
Bacteria
Streptomyces Hirsutus ATCC 19773
n/a
n/a
Bacteria
Streptomyces Hygroscopicus ATCC 27438
n/a
n/a
Bacteria
Streptomyces Antibioticus ETH 22014
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Aureofaciens ETH 13387
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Aureofaciens ETH 28832
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Hirsutus ATCC 19773
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Hygroscopicus ATCC 27438
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Ralstonia Solanacearum
Casamino Acid Peptone Glucose agar
SPME-GC/MS
No
Bacteria
Actinomycetes Spp.
n/a
n/a
Bacteria
Collimonas Pratensis Ter91
Headspace trapping/GC-MS
Bacteria
Salinispora Tropica CNB-440
seawater-based A1
GC/MS
Bacteria
Serratia Plymuthica PRI-2C
sand containing artificial root exudates
GC/MS
No
Bacteria
Streptomyces Ciscaucasicus W214
GA-medium
SPME/GC-MS
Bacteria
Streptomyces Ciscaucasicus W47
GA-medium
SPME/GC-MS
Bacteria
Achromobacter Xylosoxidans AF411019
liquid LB
SPME/GC-MS
Yes
Bacteria
Alcaligenes Faecalis YMF3·00172
LB medium
SPME-GC/MS
No
Bacteria
Arthrobacter Nicotianae JQ071518
liquid LB
SPME/GC-MS
Yes
Bacteria
Bacillus Cereus YMF3·00019
LB medium
SPME-GC/MS
No
Bacteria
Dyella Sp. AD56
Tryptic soy broth agar
GC/MS-Q-TOF
No
Bacteria
Proteus Penneri YMF3·00016
LB medium
SPME-GC/MS
No
Bacteria
Proteus Vulgaris Sp.
LB medium
SPME-GC/MS
No
Bacteria
Providencia Rettgeri YMF3·00150
LB medium
SPME-GC/MS
No
Bacteria
Pseudochrobactrum Asaccharolyticum YMF3·00201
LB medium
SPME-GC/MS
No
Bacteria
Pseudochrobactrum Saccharolyticum AM180484
liquid LB
SPME/GC-MS
Yes
Bacteria
Wautersiella Falsenii AM238687
liquid LB
SPME/GC-MS
Yes
Fungi
Ceratocystis Fagacearum
no
Fungi
Phialophora Fastigiata Conant
DG18
GC/MS
Bacteria
Saccharomonospora Viridis DSM 43017
Nutrient agar CM3
GC/MS
Bacteria
Achromobacter Xylosoxidans AF411019
LB liquid
SPME-GC/MS
Bacteria
Arthrobacter Nicotianae JQ071518
LB liquid
SPME-GC/MS
Bacteria
Pseudochrobactrum Saccharolyticum AM180484
LB liquid
SPME-GC/MS
Bacteria
Wautersiella Falsenii AM238687
LB liquid
SPME-GC/MS