1.0
2010-04-08 22:14:49 UTC
2018-05-29 01:45:05 UTC
FDB020129
(-)-Bornyl acetate
Isolated from Blumea balsamifera, Jasonia species, Salvia fruticosa, carrot, rosemary, sage and lavender oil. Flavouring agent [CCD]
(-)-Bornyl acetate
(1S,2R,4S)-(-)-Bornyl acetate
endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate
FEMA 2159
L-α-bornyl acetate
L-alpha-Bornyl acetate
L-Born-2-yl acetate
L-bornyl acetate
Levo-bornyl acetate
C12H20O2
196.286
196.146329884
(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate
(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate
5655-61-8
CC(=O)O[C@@H]1CC2CC[C@@]1(C)C2(C)C
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12-/m1/s1
KGEKLUUHTZCSIP-GTFYECCDSA-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
3.50
logs
-3.51
solubility
6.01e-02 g/l
logp
2.43
pka_strongest_basic
-7
iupac
(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate
average_mass
196.286
mono_mass
196.146329884
smiles
CC(=O)O[C@@H]1CC2CC[C@@]1(C)C2(C)C
formula
C12H20O2
inchi
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12-/m1/s1
inchikey
KGEKLUUHTZCSIP-GTFYECCDSA-N
polar_surface_area
26.3
refractivity
54.47
polarizability
22.6
rotatable_bond_count
2
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
8937
Specdb::MsIr
8938
Specdb::CMs
11991
Specdb::CMs
157034
Specdb::MsMs
292417
Specdb::MsMs
292418
Specdb::MsMs
292419
Specdb::MsMs
332599
Specdb::MsMs
332600
Specdb::MsMs
332601
Specdb::MsMs
2459581
Specdb::MsMs
2459582
Specdb::MsMs
2459583
Specdb::MsMs
2475581
Specdb::MsMs
2475582
Specdb::MsMs
2475583
HMDB40397
#<Reference:0x00005556735b48b0>
balsamic
fresh
herbal
pine needle
sweet
woody