1.0
2010-04-08 22:08:15 UTC
2019-11-26 03:03:10 UTC
FDB008774
Butyl dodecanoate
Present in apple, papaya, cape gooseberry, spineless monkey orange and malt whisky. It is used in fruit flavouring. Butyl dodecanoate is found in alcoholic beverages, pomes, and fruits.
Butyl dodecanoate
Butyl dodecylate
Butyl laurate
BYTYL laurate
Dodecanoic acid, butyl ester
FEMA 2206
Lauric acid butyl ester
Lauric acid n-butyl ester
Lauric acid, butyl ester
Lauric acid, butyl ester (8CI)
N-butyl laurate
N-butyl n-dodecanoate
C16H32O2
256.4241
256.240230268
butyl dodecanoate
dodecanoic acid, butyl ester
106-18-3
CCCCCCCCCCCC(=O)OCCCC
InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
NDKYEUQMPZIGFN-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Fatty acid esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid 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 acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Liquid
logp
6.61
logs
-6.08
solubility
2.14e-04 g/l
melting_point
Mp -7°
logp
5.95
pka_strongest_basic
-7
iupac
butyl dodecanoate
average_mass
256.4241
mono_mass
256.240230268
smiles
CCCCCCCCCCCC(=O)OCCCC
formula
C16H32O2
inchi
InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
inchikey
NDKYEUQMPZIGFN-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
77.32
polarizability
34.13
rotatable_bond_count
14
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
21071
Specdb::CMs
27494
Specdb::CMs
28396
Specdb::CMs
29758
Specdb::CMs
29786
Specdb::CMs
29787
Specdb::CMs
101032
Specdb::CMs
101033
Specdb::CMs
101034
Specdb::CMs
101035
Specdb::CMs
101036
Specdb::CMs
156582
Specdb::MsMs
99627
Specdb::MsMs
99628
Specdb::MsMs
99629
Specdb::MsMs
164796
Specdb::MsMs
164797
Specdb::MsMs
164798
Specdb::MsMs
2395584
Specdb::MsMs
2395585
Specdb::MsMs
2395586
Specdb::MsMs
2539292
Specdb::MsMs
2539293
Specdb::MsMs
2539294
HMDB32065
#<Reference:0x0000555675b29258>
Alcoholic beverages
Unknown
generic
Fruits
Unknown
generic
Pomes
Unknown
generic
fruity
oil
oily
peanut
soapy
waxy