1.0
2010-04-08 22:10:48 UTC
2015-07-20 23:00:38 UTC
FDB013593
4-Methoxybenzyl propanoate
Flavouring agent with a fruity taste
4-Methoxybenzenemethanol propanoate
4-Methoxybenzenemethyl propanoate
4-Methoxybenzyl propanoate
4-Methoxybenzyl propionate
Anisyl propionate
Benzenemethanol, 4-methoxy-, 1-propanoate
Benzenemethanol, 4-methoxy-, propanoate
Benzyl alcohol, p-methoxy-, propionate
Benzyl alcohol, p-methoxy-, propionate (8CI)
FEMA 2102
P-methoxybenzyl propionate
Propionic acid, p-methoxybenzyl ester
Propionic acid, p-methoxybenzyl ester (6CI)
C11H14O3
194.2271
194.094294314
(4-methoxyphenyl)methyl propanoate
(4-methoxyphenyl)methyl propanoate
7549-33-9
CCC(=O)OCC1=CC=C(OC)C=C1
InChI=1S/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3
YWIJRJQYADFRTL-UHFFFAOYSA-N
belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
Benzyloxycarbonyls
Organic compounds
Benzenoids
Benzene and substituted derivatives
Benzyloxycarbonyls
Aromatic homomonocyclic compounds
Alkyl aryl ethers
Anisoles
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Methoxybenzenes
Monocarboxylic acids and derivatives
Organic oxides
Phenoxy compounds
Alkyl aryl ether
Anisole
Aromatic homomonocyclic compound
Benzyloxycarbonyl
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Ether
Hydrocarbon derivative
Methoxybenzene
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenol ether
Phenoxy compound
logp
2.65
logs
-3.08
solubility
1.63e-01 g/l
logp
2.19
pka_strongest_basic
-4.8
iupac
(4-methoxyphenyl)methyl propanoate
average_mass
194.2271
mono_mass
194.094294314
smiles
CCC(=O)OCC1=CC=C(OC)C=C1
formula
C11H14O3
inchi
InChI=1S/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3
inchikey
YWIJRJQYADFRTL-UHFFFAOYSA-N
polar_surface_area
35.53
refractivity
53.12
polarizability
21.23
rotatable_bond_count
5
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
9693
Specdb::CMs
162118
Specdb::MsIr
6762
Specdb::MsIr
6763
Specdb::MsMs
59640
Specdb::MsMs
59641
Specdb::MsMs
59642
Specdb::MsMs
115821
Specdb::MsMs
115822
Specdb::MsMs
115823
Specdb::MsMs
2386325
Specdb::MsMs
2386326
Specdb::MsMs
2386327
Specdb::MsMs
2578872
Specdb::MsMs
2578873
Specdb::MsMs
2578874
HMDB34990
#<Reference:0x000055567486df88>
anisic
cherry
fruity
herbal
peach
vanilla