1.0
2010-04-08 22:10:12 UTC
2015-07-20 22:51:10 UTC
FDB012505
Ethyl 4-methylphenoxyacetate
Flavouring ingredient
Acetic acid, (4-methylphenoxy)-, ethyl ester
Acetic acid, 2-(4-methylphenoxy)-, ethyl ester
Acetic acid, p-tolyloxy-, ethyl ester
Ethyl (4-methylphenoxy)acetate
Ethyl (p-tolyloxy)acetate
Ethyl 4-methylphenoxyacetate
Ethyl p-cresoxyacetate
Ethyl p-tolyloxyacetate
FEMA 3157
C11H14O3
194.2271
194.094294314
ethyl 2-(4-methylphenoxy)acetate
ethyl 2-(4-methylphenoxy)acetate
67028-40-4
CCOC(=O)COC1=CC=C(C)C=C1
InChI=1S/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
UMNOIMVMNARUSB-UHFFFAOYSA-N
belongs to the class of organic compounds known as phenoxyacetic acid derivatives. Phenoxyacetic acid derivatives are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
Phenoxyacetic acid derivatives
Organic compounds
Benzenoids
Benzene and substituted derivatives
Phenoxyacetic acid derivatives
Aromatic homomonocyclic compounds
Alkyl aryl ethers
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Phenol ethers
Phenoxy compounds
Toluenes
Alkyl aryl ether
Aromatic homomonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Ether
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenol ether
Phenoxy compound
Phenoxyacetate
Toluene
logp
2.51
logs
-2.99
solubility
2.00e-01 g/l
logp
2.31
pka_strongest_basic
-4.9
iupac
ethyl 2-(4-methylphenoxy)acetate
average_mass
194.2271
mono_mass
194.094294314
smiles
CCOC(=O)COC1=CC=C(C)C=C1
formula
C11H14O3
inchi
InChI=1S/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
inchikey
UMNOIMVMNARUSB-UHFFFAOYSA-N
polar_surface_area
35.53
refractivity
53.16
polarizability
21.11
rotatable_bond_count
5
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
6473
Specdb::MsIr
6474
Specdb::CMs
11502
Specdb::CMs
135034
Specdb::CMs
142768
Specdb::MsMs
55602
Specdb::MsMs
55603
Specdb::MsMs
55604
Specdb::MsMs
110790
Specdb::MsMs
110791
Specdb::MsMs
110792
Specdb::MsMs
2238098
Specdb::MsMs
2239493
Specdb::MsMs
2240089
Specdb::MsMs
2241600
Specdb::MsMs
2242219
Specdb::MsMs
2243668
Specdb::MsMs
2846612
Specdb::MsMs
2846613
Specdb::MsMs
2846614
Specdb::MsMs
2862385
Specdb::MsMs
2862386
Specdb::MsMs
2862387
HMDB34206
#<Reference:0x000055567566e628>
cherry
fruity
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powdery