1.0
2010-04-08 22:14:47 UTC
2015-07-21 06:42:26 UTC
FDB020096
Sodium sorbate
Antimicrobial agent; preservative
It is a food additive with E-number E201.
2,4-Hexadienoic acid, sodium salt
2,4-Hexadienoic acid, sodium salt, (E,E)-
Sodium (E,E)-hexa-2,4-dienoate
Sodium 2,4-hexadienoate, (E,E)-
Sodium sorbate
Sorban sodny
Sorbic acid, sodium salt
C6H7NaO2
134.1083
134.034374143
sodium (2E,4E)-hexa-2,4-dienoate
sodium (2E,4E)-hexa-2,4-dienoate
7757-81-5
[Na+].C\C=C\C=C\C([O-])=O
InChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;
LROWVYNUWKVTCU-STWYSWDKSA-M
belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
Medium-chain fatty acids
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acids and conjugates
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid salts
Carboxylic acids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Organic sodium salts
Unsaturated fatty acids
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Carboxylic acid salt
Hydrocarbon derivative
Medium-chain fatty acid
Monocarboxylic acid or derivatives
Organic alkali metal salt
Organic oxide
Organic oxygen compound
Organic salt
Organic sodium salt
Organooxygen compound
Unsaturated fatty acid
logp
1.63
logs
-1.11
solubility
1.03e+01 g/l
logp
1.45
pka_strongest_acidic
5.01
iupac
sodium (2E,4E)-hexa-2,4-dienoate
average_mass
134.1083
mono_mass
134.034374143
smiles
[Na+].C\C=C\C=C\C([O-])=O
formula
C6H7NaO2
inchi
InChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;
inchikey
LROWVYNUWKVTCU-STWYSWDKSA-M
polar_surface_area
40.13
refractivity
44.12
polarizability
11.51
rotatable_bond_count
2
acceptor_count
2
donor_count
0
physiological_charge
-1
formal_charge
0
Specdb::MsMs
1339666
Specdb::MsMs
1339667
Specdb::MsMs
1339668
Specdb::MsMs
1224046
Specdb::MsMs
1224047
Specdb::MsMs
1224048