1.0
2010-04-08 22:12:39 UTC
2015-07-20 23:32:43 UTC
FDB016806
Guaicyl phenylacetate
Flavouring ingredient
2-Methoxyphenyl phenylacetate
Acetic acid, phenyl-, o-methoxyphenyl ester
Benzeneacetic Acid, 2-methoxyphenyl Ester
FEMA 2535
Guaiacol phenylacetate
Guaiacyl phenyl acetate
Guaiacyl phenylacetate
Guaicyl phenylacetate
Methoxyphenyl phenylacetate, o-
Methylcatechol acetate, o-
O-Methoxyphenyl phenylacetate
O-Methylcatechol acetate
C15H14O3
242.2699
242.094294314
2-methoxyphenyl 2-phenylacetate
2-methoxyphenyl 2-phenylacetate
4112-89-4
COC1=CC=CC=C1OC(=O)CC1=CC=CC=C1
InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
KNVYLIIBQXVDKC-UHFFFAOYSA-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
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
logp
3.44
logs
-4.64
solubility
5.60e-03 g/l
melting_point
Mp 32°
logp
3.26
pka_strongest_basic
-4.9
iupac
2-methoxyphenyl 2-phenylacetate
average_mass
242.2699
mono_mass
242.094294314
smiles
COC1=CC=CC=C1OC(=O)CC1=CC=CC=C1
formula
C15H14O3
inchi
InChI=1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
inchikey
KNVYLIIBQXVDKC-UHFFFAOYSA-N
polar_surface_area
35.53
refractivity
68.38
polarizability
25.65
rotatable_bond_count
5
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
15860
Specdb::CMs
154661
Specdb::MsMs
58497
Specdb::MsMs
58498
Specdb::MsMs
58499
Specdb::MsMs
114438
Specdb::MsMs
114439
Specdb::MsMs
114440
Specdb::MsMs
2709101
Specdb::MsMs
2709102
Specdb::MsMs
2709103
Specdb::MsMs
3000451
Specdb::MsMs
3000452
Specdb::MsMs
3000453
HMDB37679
#<Reference:0x0000555674929c88>
balsam
floral
heavy
honey
phenolic
powdery
sausage
smoked
smoky
spice
woody