1.0
2010-04-08 22:12:21 UTC
2015-07-20 23:28:20 UTC
FDB016296
Isoeugenol phenylacetate
Flavouring ingredient
2-Methoxy-4-(1-propen-1-yl)phenyl phenylacetate
2-Methoxy-4-(1-propenyl)phenyl benzeneacetate
2-Methoxy-4-prop-1-enylphenyl phenylacetate
2-Methoxy-4-propenylphenyl phenylacetate
4-Propenylguaiacyl phenylacetate
Acetic acid, phenyl-, 2-methoxy-4-propenylphenyl ester
Benzeneacetic acid, 2-methoxy-4-(1-propen-1-yl)phenyl ester
Benzeneacetic acid, 2-methoxy-4-(1-propenyl)phenyl ester
FEMA 2477
Isoeugenol phenylacetate
Isoeugenyl alpha-toluate
Isoeugenyl phenylacetate
C18H18O3
282.3337
282.125594442
2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl 2-phenylacetate
2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl 2-phenylacetate
120-24-1
COC1=C(OC(=O)CC2=CC=CC=C2)C=CC(\C=C/C)=C1
InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-
YYLCMLYMJHKLEJ-CLTKARDFSA-N
belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
Phenol esters
Organic compounds
Benzenoids
Phenol esters
Aromatic homomonocyclic compounds
Alkyl aryl ethers
Anisoles
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Methoxybenzenes
Monocarboxylic acids and derivatives
Organic oxides
Phenoxy compounds
Styrenes
Alkyl aryl ether
Anisole
Aromatic homomonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Ether
Hydrocarbon derivative
Methoxybenzene
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenol ester
Phenol ether
Phenoxy compound
Styrene
logp
4.78
logs
-5.08
solubility
2.33e-03 g/l
logp
4.38
pka_strongest_basic
-4.9
iupac
2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl 2-phenylacetate
average_mass
282.3337
mono_mass
282.125594442
smiles
COC1=C(OC(=O)CC2=CC=CC=C2)C=CC(\C=C/C)=C1
formula
C18H18O3
inchi
InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3-
inchikey
YYLCMLYMJHKLEJ-CLTKARDFSA-N
polar_surface_area
35.53
refractivity
83.74
polarizability
31.34
rotatable_bond_count
6
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
22721
Specdb::CMs
148655
Specdb::MsMs
316444
Specdb::MsMs
316445
Specdb::MsMs
316446
Specdb::MsMs
362704
Specdb::MsMs
362705
Specdb::MsMs
362706
Specdb::MsMs
3051380
Specdb::MsMs
3051381
Specdb::MsMs
3051382
Specdb::MsMs
3119416
Specdb::MsMs
3119417
Specdb::MsMs
3119418
HMDB37278
#<Reference:0x00005556741c60e0>
cinnamon
clove
floral
honey
spice
sweet