1.0
2010-04-08 22:10:49 UTC
2018-05-29 01:06:36 UTC
FDB013624
Phenethyl salicylate
It is used imitation fruit flavours
β-phenylethyl salicylate
2-Phenylethyl 2-hydroxybenzoate
2-Phenylethyl salicylate
AKS-BBB/661
Benzoic acid, 2-hydroxy-, 2-phenylethyl
Benzoic acid, 2-hydroxy-, 2-phenylethyl ester
Benzyl carbinyl salicylate
Benzylcarbinyl 2-hydroxybenzoate
Benzylcarbinyl salicylate
beta -Phenylethyl salicylate
Beta-phenylethyl salicylate
FEMA 2868
Phenethyl salicylate
Phenylethyl salicyalte
Phenylethyl salicylate
Salicylic acid, phenethyl ester
Salicylic acid, phenethyl ester (8CI)
C15H14O3
242.2699
242.094294314
2-phenylethyl 2-hydroxybenzoate
2-phenylethyl 2-hydroxybenzoate
87-22-9
OC1=CC=CC=C1C(=O)OCCC1=CC=CC=C1
InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
YNMSDIQQNIRGDP-UHFFFAOYSA-N
belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
o-Hydroxybenzoic acid esters
Organic compounds
Benzenoids
Benzene and substituted derivatives
Benzoic acids and derivatives
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
1-hydroxy-4-unsubstituted benzenoids
Benzoyl derivatives
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Organooxygen compounds
Salicylic acid and derivatives
Vinylogous acids
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Aromatic homomonocyclic compound
Benzoyl
Carboxylic acid derivative
Carboxylic acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
O-hydroxybenzoic acid ester
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenol
Salicylic acid or derivatives
Vinylogous acid
logp
3.95
logs
-3.53
solubility
7.18e-02 g/l
melting_point
Mp 44°
logp
4.34
pka_strongest_acidic
9.72
pka_strongest_basic
-4.3
iupac
2-phenylethyl 2-hydroxybenzoate
average_mass
242.2699
mono_mass
242.094294314
smiles
OC1=CC=CC=C1C(=O)OCCC1=CC=CC=C1
formula
C15H14O3
inchi
InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
inchikey
YNMSDIQQNIRGDP-UHFFFAOYSA-N
polar_surface_area
46.53
refractivity
69.43
polarizability
26.1
rotatable_bond_count
5
acceptor_count
2
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
18765
Specdb::CMs
29371
Specdb::CMs
44133
Specdb::CMs
101688
Specdb::CMs
154212
Specdb::MsMs
51534
Specdb::MsMs
51535
Specdb::MsMs
51536
Specdb::MsMs
142758
Specdb::MsMs
142759
Specdb::MsMs
142760
Specdb::MsMs
2394754
Specdb::MsMs
2394755
Specdb::MsMs
2394756
Specdb::MsMs
2540096
Specdb::MsMs
2540097
Specdb::MsMs
2540098
HMDB35019
#<Reference:0x00005556755255a0>
balsamic
carnation
floral
hyacinth
rose