1.0
2010-04-08 22:10:09 UTC
2018-05-28 23:36:32 UTC
FDB012405
Nonyl octanoate
It is used in food flavouring.
FEMA 2790
Nonyl caprylate
Nonyl octanoate
Nonyl octylate
Octanoic acid, nonyl ester
C17H34O2
270.4507
270.255880332
nonyl octanoate
nonyl octanoate
7786-48-3
CCCCCCCCCOC(=O)CCCCCCC
InChI=1S/C17H34O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h3-16H2,1-2H3
HSGQXSBXGSRINJ-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
Fatty acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
6.92
logs
-6.31
solubility
1.32e-04 g/l
logp
6.39
pka_strongest_basic
-7
iupac
nonyl octanoate
average_mass
270.4507
mono_mass
270.255880332
smiles
CCCCCCCCCOC(=O)CCCCCCC
formula
C17H34O2
inchi
InChI=1S/C17H34O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h3-16H2,1-2H3
inchikey
HSGQXSBXGSRINJ-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
81.92
polarizability
36.23
rotatable_bond_count
15
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
16078
Specdb::CMs
29799
Specdb::CMs
101521
Specdb::CMs
171337
Specdb::MsMs
62814
Specdb::MsMs
62815
Specdb::MsMs
62816
Specdb::MsMs
119619
Specdb::MsMs
119620
Specdb::MsMs
119621
Specdb::MsMs
2287716
Specdb::MsMs
2287717
Specdb::MsMs
2287718
Specdb::MsMs
2648508
Specdb::MsMs
2648509
Specdb::MsMs
2648510
HMDB34131
#<Reference:0x000055567452cf40>
cognac
floral
mushroom
rose
sweet