1.0
2010-04-08 22:09:53 UTC
2019-11-26 03:05:42 UTC
FDB011898
4-Methoxybenzyl acetate
Found in fruits, Bourbon vanilla and Tahiti vanilla. It is used in flavour industry.
4-Methoxybenzenemethanol, acetate
4-Methoxybenzenenemethyl acetate
4-Methoxybenzyl acetate
Acetic acid p-methoxybenzyl ester
Anisyl acetate
Anisyl acetate, p-isomer
Benzenemethanol, 4-methoxy-, 1-acetate
Benzenemethanol, 4-methoxy-, acetate
Benzyl alcohol, p-methoxy-, acetate
Benzyl alcohol, p-methoxy-, acetate (8CI)
Cassie ketone
FEMA 2098
Methoxybenzyl acetate, p-
P-methoxybenzyl acetate
P-methoxybenzyl alcohol acetate
C10H12O3
180.2005
180.07864425
(4-methoxyphenyl)methyl acetate
(4-methoxyphenyl)methyl acetate
104-21-2
COC1=CC=C(COC(C)=O)C=C1
InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
HFNGYHHRRMSKEU-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
carboxylic ester
logp
2.20
logs
-2.70
solubility
3.59e-01 g/l
melting_point
84 oC
logp
1.49
pka_strongest_basic
-4.8
iupac
(4-methoxyphenyl)methyl acetate
average_mass
180.2005
mono_mass
180.07864425
smiles
COC1=CC=C(COC(C)=O)C=C1
formula
C10H12O3
inchi
InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
inchikey
HFNGYHHRRMSKEU-UHFFFAOYSA-N
polar_surface_area
35.53
refractivity
48.49
polarizability
19.05
rotatable_bond_count
4
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
19654
Specdb::CMs
26986
Specdb::CMs
27248
Specdb::CMs
28113
Specdb::CMs
29085
Specdb::CMs
101389
Specdb::CMs
101390
Specdb::CMs
101391
Specdb::CMs
101392
Specdb::CMs
169761
Specdb::MsIr
6243
Specdb::MsIr
6244
Specdb::MsMs
94392
Specdb::MsMs
94393
Specdb::MsMs
94394
Specdb::MsMs
158415
Specdb::MsMs
158416
Specdb::MsMs
158417
Specdb::MsMs
2416219
Specdb::MsMs
2416220
Specdb::MsMs
2416221
Specdb::MsMs
2546400
Specdb::MsMs
2546401
Specdb::MsMs
2546402
HMDB33761
#<Reference:0x0000555676134580>
Fruits
Unknown
generic
Herbs and Spices
Unknown
generic
almond
balsam
cherry
coumarin
creamy
fruity
plum
powdery
sweet
tonka
vanilla