1.0
2010-04-08 22:10:11 UTC
2019-11-26 03:06:48 UTC
FDB012447
2-Methylpropyl butanoate
Found in bananas. It is used in food flavouring.
2-Methyl-1-propyl butyrate
2-Methylpropyl butanoate
2-Methylpropyl butyrate
Butanoic acid, 2-methylpropyl ester
Butanoic acid, isobutyl ester
Butanoic acid, methyl propyl ester
Butyric acid, isobutyl ester
FEMA 2187
Isobutyl butanoate
Isobutyl butyrate
Isobutyl ester of butanoic acid
Isobutyl n-butyrate
Isobutyl-n-butyrate
N-butyric acid isobutyl ester
C8H16O2
144.2114
144.115029756
2-methylpropyl butanoate
2-methylpropyl butanoate
539-90-2
CCCC(=O)OCC(C)C
InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
RGFNRWTWDWVHDD-UHFFFAOYSA-N
logp
2.65
logs
-1.92
solubility
1.72e+00 g/l
logp
2.31
pka_strongest_basic
-7
iupac
2-methylpropyl butanoate
average_mass
144.2114
mono_mass
144.115029756
smiles
CCCC(=O)OCC(C)C
formula
C8H16O2
inchi
InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
inchikey
RGFNRWTWDWVHDD-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
40.38
polarizability
17.06
rotatable_bond_count
5
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
6437
Specdb::MsIr
6438
Specdb::CMs
3303
Specdb::CMs
27265
Specdb::CMs
28359
Specdb::CMs
28974
Specdb::CMs
101533
Specdb::CMs
101534
Specdb::CMs
101535
Specdb::CMs
165927
Specdb::NmrOneD
124578
Specdb::NmrOneD
124579
Specdb::NmrOneD
124580
Specdb::NmrOneD
124581
Specdb::NmrOneD
124582
Specdb::NmrOneD
124583
Specdb::NmrOneD
124584
Specdb::NmrOneD
124585
Specdb::NmrOneD
124586
Specdb::NmrOneD
124587
Specdb::NmrOneD
124588
Specdb::NmrOneD
124589
Specdb::NmrOneD
124590
Specdb::NmrOneD
124591
Specdb::NmrOneD
124592
Specdb::NmrOneD
124593
Specdb::NmrOneD
124594
Specdb::NmrOneD
124595
Specdb::NmrOneD
124596
Specdb::NmrOneD
124597
Specdb::MsMs
68907
Specdb::MsMs
68908
Specdb::MsMs
68909
Specdb::MsMs
127050
Specdb::MsMs
127051
Specdb::MsMs
127052
Specdb::MsMs
2472456
Specdb::MsMs
2472457
Specdb::MsMs
2472458
Specdb::MsMs
2489889
Specdb::MsMs
2489890
Specdb::MsMs
2489891
HMDB34161
#<Reference:0x00005556759e96b8>
Apple
Type 1
specific
Malus pumila
283210
Asian pear
Type 1
specific
Pyrus pyrifolia
3767
Fruits
Unknown
generic
Roman camomile
Type 1
specific
Chamaemelum nobile
99037
apple
berry
fruity
pineapple
rum
sweet