1.0
2010-04-08 22:13:09 UTC
2015-07-20 23:39:30 UTC
FDB017540
Bornyl isovalerate
Flavouring agent
3-Methyl-(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl esterrel-butanoic acid
3-Methyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl esterendo-butanoic acid
Borneol, isovalerate (8CI)
Bornyl isovalerate
Bornyval
Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
FEMA 2165
Hysterol
Isovaleric acid, 2-bornyl ester (6CI,7CI,8CI)
C15H26O2
238.3657
238.193280076
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate
76-50-6
CC(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12+,15+/m0/s1
MPYYVGIJHREDBO-YWPYICTPSA-N
logp
4.47
logs
-4.41
solubility
9.35e-03 g/l
logp
3.86
pka_strongest_basic
-7
iupac
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate
average_mass
238.3657
mono_mass
238.193280076
smiles
CC(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
formula
C15H26O2
inchi
InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12+,15+/m0/s1
inchikey
MPYYVGIJHREDBO-YWPYICTPSA-N
polar_surface_area
26.3
refractivity
68.24
polarizability
28.45
rotatable_bond_count
4
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
17701
Specdb::CMs
152041
Specdb::MsMs
305188
Specdb::MsMs
305189
Specdb::MsMs
305190
Specdb::MsMs
348541
Specdb::MsMs
348542
Specdb::MsMs
348543
Specdb::MsMs
2366221
Specdb::MsMs
2366222
Specdb::MsMs
2366223
Specdb::MsMs
2598961
Specdb::MsMs
2598962
Specdb::MsMs
2598963
HMDB38248
#<Reference:0x00005556745780f8>
camphor
earth
green
herb
valerian