1.0
2010-04-08 22:13:27 UTC
2019-11-26 03:15:33 UTC
FDB018004
Geranyl propionate
Found in citrus peel oils, kumquat peel oil, muscadine grape (Vitis rotundifolia), hop oil and cardamon (Ellettaria cardamomum). Flavouring agent
(Z)-3,7-Dimethyl-2,6-octadienyl propanoate
(Z)-3,7-Dimethyl-2,6-octadienyl propionate
2,6-Octadien-1-o1, 3,7-dimethyl-, propanoate, (E)-
3,7-Dimethyl-1-propanoate(2Z)-2,6-octadien-1-ol
3,7-Dimethyl-propanoate(2Z)-2,6-octadien-1-ol
3,7-Dimethyl-propanoate(Z)-2,6-octadien-1-ol
3,7-Dimethyl-propionate(Z)-2,6-octadien-1-ol
cis-3,7-Dimethyl-2,6-octadien-1-yl propanoate
cis-3,7-Dimethyl-2,6-octadien-1-yl propionate
FEMA 2517
Geranyl n-propionate
Geranyl propanoate
Geranyl propionate
Geranyl-n-propanoate
Neryl n-propionate
trans-3,7-Dimethyl-2,6-Octadienyl propionate
C13H22O2
210.3126
210.161979948
(2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate
(2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate
105-91-9
CCC(=O)OC\C=C(\C)CCC=C(C)C
InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-
BYCHQEILESTMQU-XFXZXTDPSA-N
belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
Fatty alcohol esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty alcohol esters
Aliphatic acyclic compounds
Acyclic monoterpenoids
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Acyclic monoterpenoid
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monoterpenoid
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
4.58
logs
-3.26
solubility
1.16e-01 g/l
logp
3.64
pka_strongest_basic
-7
iupac
(2Z)-3,7-dimethylocta-2,6-dien-1-yl propanoate
average_mass
210.3126
mono_mass
210.161979948
smiles
CCC(=O)OC\C=C(\C)CCC=C(C)C
formula
C13H22O2
inchi
InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-
inchikey
BYCHQEILESTMQU-XFXZXTDPSA-N
polar_surface_area
26.3
refractivity
64.96
polarizability
25.58
rotatable_bond_count
7
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
7849
Specdb::MsIr
7850
Specdb::CMs
16170
Specdb::CMs
28517
Specdb::CMs
101944
Specdb::CMs
166760
Specdb::MsMs
43599
Specdb::MsMs
43600
Specdb::MsMs
43601
Specdb::MsMs
142014
Specdb::MsMs
142015
Specdb::MsMs
142016
Specdb::MsMs
2754115
Specdb::MsMs
2754116
Specdb::MsMs
2754117
Specdb::MsMs
2951160
Specdb::MsMs
2951161
Specdb::MsMs
2951162
HMDB38258
#<Reference:0x000055567455d640>
Citrus
Unknown
generic
Fruits
Unknown
generic
Herbs and Spices
Unknown
generic
bitter
floral
fresh
fruity
rose
tropical
waxy