1.0
2010-04-08 22:09:41 UTC
2015-07-20 22:41:08 UTC
FDB011520
Geranyl benzoate
Flavouring ingredient
(2,4-dimethylphenyl)methanamine
(2E)-3,7-Dimethyl-2,6-octadienyl benzoate
2,4-Dimethyl-benzenemethanamine
2,4-Dimethyl-benzylamine
2,4-DIMETHYLBENZYLAMINE
Benzenemethanamine, 2,4-dimethyl-
Benzylamine, 2,4-dimethyl-
FEMA 2511
Geranyl benzoate
C17H22O2
258.3554
258.161979948
(2Z)-3,7-dimethylocta-2,6-dien-1-yl benzoate
(2Z)-3,7-dimethylocta-2,6-dien-1-yl benzoate
94-48-4
CC(C)=CCC\C(C)=C/COC(=O)C1=CC=CC=C1
InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12-
YDVXYTIIPGKIJP-QINSGFPZSA-N
belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
Aromatic monoterpenoids
Organic compounds
Lipids and lipid-like molecules
Prenol lipids
Monoterpenoids
Aromatic homomonocyclic compounds
Benzoic acid esters
Benzoyl derivatives
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Monocyclic monoterpenoids
Organic oxides
Organooxygen compounds
Aromatic homomonocyclic compound
Aromatic monoterpenoid
Benzenoid
Benzoate ester
Benzoic acid or derivatives
Benzoyl
Carboxylic acid derivative
Carboxylic acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Monocyclic monoterpenoid
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
5.70
logs
-4.40
solubility
1.02e-02 g/l
logp
5
pka_strongest_basic
-6.9
iupac
(2Z)-3,7-dimethylocta-2,6-dien-1-yl benzoate
average_mass
258.3554
mono_mass
258.161979948
smiles
CC(C)=CCC\C(C)=C/COC(=O)C1=CC=CC=C1
formula
C17H22O2
inchi
InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12-
inchikey
YDVXYTIIPGKIJP-QINSGFPZSA-N
polar_surface_area
26.3
refractivity
81
polarizability
30.33
rotatable_bond_count
7
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
24331
Specdb::CMs
147150
Specdb::MsMs
319900
Specdb::MsMs
319901
Specdb::MsMs
319902
Specdb::MsMs
367150
Specdb::MsMs
367151
Specdb::MsMs
367152
Specdb::MsMs
2757693
Specdb::MsMs
2757694
Specdb::MsMs
2757695
Specdb::MsMs
2948193
Specdb::MsMs
2948194
Specdb::MsMs
2948195
HMDB33478
#<Reference:0x000055567581d8e8>
amber
rose
sweet
ylang