1.0
2010-04-08 22:15:05 UTC
2019-11-26 03:19:04 UTC
FDB020533
(-)-alpha-Fenchyl acetate
Flavouring ingredient, together with stereoisomers
(-)-alpha-Fenchyl acetate
(-)-endo-Fenchyl acetate
(+)-Borneol acetate
(+)-Bornyl acetate
(1R,2S,4R)-(+)-Bornyl acetate
(1S,2S,4R)-Fenchyl acetate
1,7,7-Trimethyl-acetate(1R-endo)-bicyclo[2.2.1]heptan-2-ol
2-Bornanol, acetate, (1R,2S,4R)-(+)- (8ci)
D-Bornyl acetate
FEMA 3390
Fenchyl acetate
C12H20O2
196.286
196.146329884
(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate
(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate
20347-65-3
CC(=O)O[C@H]1[C@@]2(C)CC[C@H](C2)C1(C)C
InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1
JUWUWIGZUVEFQB-FOGDFJRCSA-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
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fenchane monoterpenoid
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
2.59
pka_strongest_basic
-7
iupac
(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate
average_mass
196.286
mono_mass
196.146329884
smiles
CC(=O)O[C@H]1[C@@]2(C)CC[C@H](C2)C1(C)C
formula
C12H20O2
inchi
InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1
inchikey
JUWUWIGZUVEFQB-FOGDFJRCSA-N
polar_surface_area
26.3
refractivity
54.31
polarizability
22.48
rotatable_bond_count
2
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
9060
Specdb::MsIr
9061
Specdb::CMs
23604
Specdb::CMs
158669
Specdb::MsMs
318331
Specdb::MsMs
318332
Specdb::MsMs
318333
Specdb::MsMs
365071
Specdb::MsMs
365072
Specdb::MsMs
365073
Specdb::MsMs
2324335
Specdb::MsMs
2324336
Specdb::MsMs
2324337
Specdb::MsMs
2610935
Specdb::MsMs
2610936
Specdb::MsMs
2610937
HMDB40725
#<Reference:0x00005556745bb218>
Carrot
Type 1
specific
Daucus carota ssp. sativus
79200