1.0
2010-04-08 22:07:59 UTC
2015-07-20 22:20:12 UTC
FDB008246
Allyl phenoxyacetate
Flavouring ingredient
2-Propenyl phenoxyacetate
Acetate p.a
Acetate p.a.
Acetate pa
Acetic acid, 2-phenoxy-, 2-propen-1-yl ester
Acetic acid, phenoxy-, 2-propenyl ester
Acetic acid, phenoxy-, allyl ester
Allyl phenoxyacetate
FEMA 2038
C11H12O3
192.2112
192.07864425
prop-2-en-1-yl 2-phenoxyacetate
allyl phenoxyacetate
7493-74-5
C=CCOC(=O)COC1=CC=CC=C1
InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
VUFZVGQUAVDKMC-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
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
logp
2.15
logs
-2.43
solubility
7.18e-01 g/l
logp
2.17
pka_strongest_basic
-4.9
iupac
prop-2-en-1-yl 2-phenoxyacetate
average_mass
192.2112
mono_mass
192.07864425
smiles
C=CCOC(=O)COC1=CC=CC=C1
formula
C11H12O3
inchi
InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
inchikey
VUFZVGQUAVDKMC-UHFFFAOYSA-N
polar_surface_area
35.53
refractivity
52.54
polarizability
20.13
rotatable_bond_count
6
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
4728
Specdb::MsIr
4729
Specdb::CMs
22751
Specdb::CMs
27962
Specdb::CMs
29148
Specdb::CMs
100889
Specdb::CMs
100890
Specdb::CMs
162514
Specdb::MsMs
101604
Specdb::MsMs
101605
Specdb::MsMs
101606
Specdb::MsMs
167247
Specdb::MsMs
167248
Specdb::MsMs
167249
Specdb::MsMs
2676193
Specdb::MsMs
2676194
Specdb::MsMs
2676195
Specdb::MsMs
3029186
Specdb::MsMs
3029187
Specdb::MsMs
3029188
HMDB31610
#<Reference:0x0000555673217a90>
chamomile
cocoa
fresh
honey
pineapple
sweet