1.0
2010-04-08 22:11:46 UTC
2015-07-20 23:16:42 UTC
FDB015313
Butyl 10-undecenoate
Flavouring ingredient
10-Undecenoic acid, butyl ester
Butyl 10-undecenoate
Butyl 10-undecylenate
Butyl undec-10-enoate
Butyl undecylenate
FEMA 2216
n-Butyl 10-undecenoate
n-Butyl undecylenate
C15H28O2
240.3816
240.20893014
butyl undec-10-enoate
butyl undec-10-enoate
109-42-2
CCCCOC(=O)CCCCCCCCC=C
InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3
GRAORJFMGCQWRN-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
logp
5.71
logs
-5.69
solubility
4.95e-04 g/l
logp
5.2
pka_strongest_basic
-7
iupac
butyl undec-10-enoate
average_mass
240.3816
mono_mass
240.20893014
smiles
CCCCOC(=O)CCCCCCCCC=C
formula
C15H28O2
inchi
InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3
inchikey
GRAORJFMGCQWRN-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
72.77
polarizability
31.27
rotatable_bond_count
13
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
11488
Specdb::CMs
167329
Specdb::MsMs
52542
Specdb::MsMs
52543
Specdb::MsMs
52544
Specdb::MsMs
145092
Specdb::MsMs
145093
Specdb::MsMs
145094
Specdb::MsMs
2678671
Specdb::MsMs
2678672
Specdb::MsMs
2678673
Specdb::MsMs
3030077
Specdb::MsMs
3030078
Specdb::MsMs
3030079
HMDB36426
#<Reference:0x00005556750b1758>
butter
fatty
floral
fruity
wine