1.0
2010-04-08 22:13:09 UTC
2015-07-20 23:39:29 UTC
FDB017538
Bornyl butyrate
Flavouring agent
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate
Borneol, butyrate
Bornyl butanoate
Bornyl butyrate
Bornyl ester of n-butanoic acid
Butyric acid, 2-bornyl ester
Butyric acid, 2-bornyl ester (8CI)
Endo-bornyl butyrate
FEMA 3907
C14H24O2
224.3392
224.177630012
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl butanoate
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl butanoate
13109-70-1
CCCC(=O)OC1CC2CCC1(C)C2(C)C
InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3
VIPNQHBVIDJXJE-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
Fatty 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
Fatty acid ester
Fatty acyl
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
4.35
logs
-3.97
solubility
2.40e-02 g/l
logp
3.58
pka_strongest_basic
-7
iupac
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl butanoate
average_mass
224.3392
mono_mass
224.177630012
smiles
CCCC(=O)OC1CC2CCC1(C)C2(C)C
formula
C14H24O2
inchi
InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3
inchikey
VIPNQHBVIDJXJE-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
63.69
polarizability
26.51
rotatable_bond_count
4
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
25391
Specdb::CMs
28293
Specdb::CMs
28387
Specdb::CMs
101940
Specdb::CMs
101941
Specdb::CMs
156703
Specdb::MsMs
167961
Specdb::MsMs
167962
Specdb::MsMs
167963
Specdb::MsMs
2733903
Specdb::MsMs
2733904
Specdb::MsMs
2733905
Specdb::MsMs
102201
Specdb::MsMs
102202
Specdb::MsMs
102203
Specdb::MsMs
2971611
Specdb::MsMs
2971612
Specdb::MsMs
2971613
HMDB38246
#<Reference:0x0000555675a9c0d8>
herb
herbal
wood
woody