1.0
2010-04-08 22:14:41 UTC
2015-07-21 06:40:34 UTC
FDB019940
2-Methyl-1-phenyl-2-propanyl butyrate
Flavouring agent
α,α-Dimethylphenethyl alcohol, butyrate
α,α-Dimethylphenethyl butyrate
1,1-Dimethyl-2-phenylethyl butanoate
1,1-Dimethyl-2-phenylethyl butyrate
2-Benzyl-2-propyl butyrate
alpha,alpha-Dimethylphenethyl alcohol, butyrate
alpha,alpha-dimethylphenethyl butyrate
Benzyl dimethyl carbinyl butyrate
Benzyl dimethylcarbinyl butyrate
Benzyl dimethylcarbinyl n-butyrate
Butanoic acid, 1,1-dimethyl-2-phenylethyl ester
Butyric acid, α,α-dimethylphenethyl ester
Butyric acid, alpha,alpha-dimethylphenethyl ester
Dimethyl benzyl carbinyl butyrate
Dimethyl benzyl carbinyl n-butyrate
Dimethylbenzylcarbinyl butyrate
DMBC butyrate
FEMA 2394
C14H20O2
220.3074
220.146329884
2-methyl-1-phenylpropan-2-yl butanoate
2-methyl-1-phenylpropan-2-yl butanoate
10094-34-5
CCCC(=O)OC(C)(C)CC1=CC=CC=C1
InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
SHSGYHAHMQLYRB-UHFFFAOYSA-N
logp
4.23
logs
-4.27
solubility
1.19e-02 g/l
logp
3.78
pka_strongest_basic
-7
iupac
2-methyl-1-phenylpropan-2-yl butanoate
average_mass
220.3074
mono_mass
220.146329884
smiles
CCCC(=O)OC(C)(C)CC1=CC=CC=C1
formula
C14H20O2
inchi
InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
inchikey
SHSGYHAHMQLYRB-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
65.07
polarizability
25.53
rotatable_bond_count
6
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
21199
Specdb::CMs
28546
Specdb::CMs
102085
Specdb::CMs
170158
Specdb::MsMs
57288
Specdb::MsMs
57289
Specdb::MsMs
57290
Specdb::MsMs
112926
Specdb::MsMs
112927
Specdb::MsMs
112928
Specdb::MsMs
2349712
Specdb::MsMs
2349713
Specdb::MsMs
2349714
Specdb::MsMs
2589049
Specdb::MsMs
2589050
Specdb::MsMs
2589051
HMDB40226
#<Reference:0x00005556761668c8>
floral
fruity
green
herbal
plum
prune