1.0
2010-04-08 22:13:09 UTC
2015-07-20 23:39:32 UTC
FDB017542
Isobornyl propionate
Flavouring agent
1-aminocyclohexanecarboxylic Acid
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl propanoate, exo-
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl propionate
2-Bornyl propionate, exo-
2-Camphanyl propionate, exo-
exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl propionate
Exo-1,7,7-trimethylbicyclo(2.2.1)heptan-2-yl propanoate
Exo-2-bornyl propionate
Exo-2-camphanyl propionate
FEMA 2163
Iso-bornyl n-propionate
Isoborneol, propionate
Isoborneol, propionate (8CI)
Isobornyl propanoate
Isobornyl propionate
So-bornyl n-propionate
C13H22O2
210.3126
210.161979948
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl propanoate
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl propanoate
2756-56-1
CCC(=O)OC1CC2CCC1(C)C2(C)C
InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3
FAFMZORPAAGQFV-UHFFFAOYSA-N
belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
Bicyclic monoterpenoids
Organic compounds
Lipids and lipid-like molecules
Prenol lipids
Monoterpenoids
Aliphatic homopolycyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic homopolycyclic compound
Bicyclic monoterpenoid
Bornane monoterpenoid
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
3.93
logs
-3.71
solubility
4.11e-02 g/l
logp
3.13
pka_strongest_basic
-7
iupac
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl propanoate
average_mass
210.3126
mono_mass
210.161979948
smiles
CCC(=O)OC1CC2CCC1(C)C2(C)C
formula
C13H22O2
inchi
InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3
inchikey
FAFMZORPAAGQFV-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
59.09
polarizability
24.69
rotatable_bond_count
3
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::EiMs
528
Specdb::CMs
22643
Specdb::CMs
28515
Specdb::CMs
101943
Specdb::CMs
131974
Specdb::CMs
139708
Specdb::MsMs
64677
Specdb::MsMs
64678
Specdb::MsMs
64679
Specdb::MsMs
121908
Specdb::MsMs
121909
Specdb::MsMs
121910
Specdb::MsMs
2833527
Specdb::MsMs
2833528
Specdb::MsMs
2833529
Specdb::MsMs
2849542
Specdb::MsMs
2849543
Specdb::MsMs
2849544
HMDB38249
#<Reference:0x00005556763340b0>
camphor
fruit
lavender
pine
pungent
turpentine
woody