1.0
2010-04-08 22:11:38 UTC
2015-07-20 23:14:29 UTC
FDB015068
Dodecyl 2-methylpropanoate
Flavouring agent
Dodecyl 2-methylpropanoate
Dodecyl isobutyrate
FEMA 3452
Isobutyric acid, dodecyl ester
Isobutyric acid, dodecyl ester (8CI)
Lauryl 2-methylpropanoate
Lauryl isobutyrate
Propanoic acid, 2-methyl-, dodecyl ester
C16H32O2
256.4241
256.240230268
dodecyl 2-methylpropanoate
dodecyl 2-methylpropanoate
6624-71-1
CCCCCCCCCCCCOC(=O)C(C)C
InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3
LDPLLPONRGVDGK-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
Fatty alcohol esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty alcohol esters
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
6.60
logs
-6.14
solubility
1.86e-04 g/l
logp
6.05
pka_strongest_basic
-7.1
iupac
dodecyl 2-methylpropanoate
average_mass
256.4241
mono_mass
256.240230268
smiles
CCCCCCCCCCCCOC(=O)C(C)C
formula
C16H32O2
inchi
InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3
inchikey
LDPLLPONRGVDGK-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
77.3
polarizability
34.28
rotatable_bond_count
13
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
21022
Specdb::CMs
175064
Specdb::MsMs
62922
Specdb::MsMs
62923
Specdb::MsMs
62924
Specdb::MsMs
119760
Specdb::MsMs
119761
Specdb::MsMs
119762
Specdb::MsMs
2260576
Specdb::MsMs
2260577
Specdb::MsMs
2260578
Specdb::MsMs
3078087
Specdb::MsMs
3078088
Specdb::MsMs
3078089
HMDB36210
#<Reference:0x00007f3dba119000>
faint
fruity