1.0
2010-04-08 22:10:49 UTC
2019-11-26 03:08:43 UTC
FDB013613
Phenethyl phenylacetate
Imitation fruit flavouring ingredient. Phenethyl phenylacetate is found in linden.
α-toluate
β-phenylethyl phenylacetate
1-Phenylethyl phenylacetate
2-Phenylethyl α-toluate
2-Phenylethyl alpha -toluate
2-Phenylethyl alpha-toluate
2-Phenylethyl benzeneacetate
2-Phenylethyl phenylacetate
Acetic acid, phenyl-, phenethyl ester
alpha -Toluate
Benzeneacetic acid, 2-phenylethyl ester
Benzyl carbinyl phenylacetate
Benzylcarbinyl α-toluate
Benzylcarbinyl alpha -toluate
Benzylcarbinyl alpha-toluate
Benzylcarbinyl phenylacetate
beta -Phenylethyl phenylacetate
Beta-phenylethyl phenylacetate
FEMA 2866
Phenethyl α-toluate
Phenethyl alpha -toluate
Phenethyl alpha-toluate
Phenethyl phenylacetate
Phenylacetic acid, 2-phenylethyl ester
Phenylacetic acid, phenethyl ester
Phenylethyl phenylacetate
C16H16O2
240.297
240.115029756
2-phenylethyl 2-phenylacetate
2-phenylethyl 2-phenylacetate
102-20-5
O=C(CC1=CC=CC=C1)OCCC1=CC=CC=C1
InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
ZOZIRNMDEZKZHM-UHFFFAOYSA-N
belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
Benzene and substituted derivatives
Organic compounds
Benzenoids
Benzene and substituted derivatives
Aromatic homomonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aromatic homomonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
3.98
logs
-4.82
solubility
3.66e-03 g/l
melting_point
Mp 28°
logp
3.77
pka_strongest_basic
-7.1
iupac
2-phenylethyl 2-phenylacetate
average_mass
240.297
mono_mass
240.115029756
smiles
O=C(CC1=CC=CC=C1)OCCC1=CC=CC=C1
formula
C16H16O2
inchi
InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
inchikey
ZOZIRNMDEZKZHM-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
71.5
polarizability
27.06
rotatable_bond_count
6
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
22896
Specdb::CMs
133809
Specdb::CMs
141543
Specdb::MsMs
95595
Specdb::MsMs
95596
Specdb::MsMs
95597
Specdb::MsMs
159888
Specdb::MsMs
159889
Specdb::MsMs
159890
Specdb::MsMs
2698632
Specdb::MsMs
2698633
Specdb::MsMs
2698634
Specdb::MsMs
2983232
Specdb::MsMs
2983233
Specdb::MsMs
2983234
HMDB35009
#<Reference:0x000055567606ed08>
Linden
Type 1
specific
Tilia
64580
balsam
floral
honey
hyacinth
rose
sweet