1.0
2010-04-08 22:12:59 UTC
2019-11-26 03:14:34 UTC
FDB017267
delta-Tetradecalactone
Found in coconut oil, butter, cheese, pork fat, tuberose oil, chicken fat, beef fat, milk and others (poss. in an enantiomeric form). Flavouring ingredient
«delta»-nonyl-«delta»-valeralactone
«delta»-tetradecaiactone
«delta»-tetradecalactone
2H-Pyran-2-one, tetrahydro-6-nonyl-
5-Hydroxytetradecanoic acid delta-lactone
5-Tetradecanolide
6-Nonyltetrahydro-2H-pyran-2-one
d-Tetradecalactone
Delta-tetradecalactone
Delta-tetradecanolide
Laquo deltaraquo -nonyl-laquo deltaraquo -valeralactone
Laquo deltaraquo -tetradecaiactone
Laquo deltaraquo -tetradecalactone
Tetrahydro-6-nonyl-2H-pyran-2-one
Tetrahydro-6-nonyl-2H-pyran-2-one, 9CI
C14H26O2
226.355
226.193280076
6-nonyloxan-2-one
6-nonyloxan-2-one
2721-22-4
CCCCCCCCCC1CCCC(=O)O1
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
SKQYTJLYRIFFCO-UHFFFAOYSA-N
belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
Delta valerolactones
Organic compounds
Organoheterocyclic compounds
Lactones
Delta valerolactones
Aliphatic heteromonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Oxacyclic compounds
Oxanes
Aliphatic heteromonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Delta valerolactone
Delta_valerolactone
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Oxacycle
Oxane
Lactones
Liquid
logp
5.41
logs
-5.13
solubility
1.67e-03 g/l
melting_point
Mp 14°
logp
4.65
pka_strongest_basic
-7
iupac
6-nonyloxan-2-one
average_mass
226.355
mono_mass
226.193280076
smiles
CCCCCCCCCC1CCCC(=O)O1
formula
C14H26O2
inchi
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
inchikey
SKQYTJLYRIFFCO-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
66.06
polarizability
28.82
rotatable_bond_count
8
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
10894
Specdb::CMs
29271
Specdb::CMs
101927
Specdb::CMs
172665
Specdb::MsMs
54333
Specdb::MsMs
54334
Specdb::MsMs
54335
Specdb::MsMs
118062
Specdb::MsMs
118063
Specdb::MsMs
118064
Specdb::MsMs
2826742
Specdb::MsMs
2826743
Specdb::MsMs
2826744
Specdb::MsMs
2856165
Specdb::MsMs
2856166
Specdb::MsMs
2856167
HMDB38056
#<Reference:0x0000555675cd4d00>
Blackberry
Type 1
specific
Rubus
Evergreen blackberry
Type 1
specific
Rubus laciniatus
Fats and oils
Unknown
generic
Milk and milk products
Unknown
generic
creamy
dairy
fatty
milky
oil
sweet
waxy