1.0
2010-04-08 22:10:10 UTC
2018-05-28 23:36:50 UTC
FDB012444
Acetyl tributyl citrate
Flavouring ingredient. Plasticiser used in packaging films for food [DFC].
1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tributyl ester
2-Acetoxy-1,2, 3-propanetricarboxylic acid tributyl ester
2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester
2-Acetyltributylcitrate
Acetyl butyl citrate
Acetyl tri-n-butyl citrate
Acetyl tributyl citrate
Acetylcitric acid, tributyl ester
Acetyltributyl citrate
Acetyltributyl citric acid
ATBC
Blo-trol
Citric acid, tributyl ester, acetate
Citric acid, tributyl ester, acetate (8ci)
Citroflex a
Citroflex A 4
Estaflex
FEMA 3080
o-Acetylcitric acid tributyl ester
Pfizer citroflex A-4
Tributyl 2-(acetyloxy)-1,2, 3-propanetricarboxylic acid
Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate
Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid
Tributyl 2-acetoxy-1,2, 3-propanetricarboxylate
Tributyl 2-acetoxy-1,2,3-propanetricarboxylate
tributyl 2-acetoxypropane-1,2,3-tricarboxylate
Tributyl 2-acetylcitrate
Tributyl acetyl citrate
Tributyl acetylcitrate
Tributyl acetylicitrate
Tributyl citrate acetate
Tributyl o-acetylcitrate
Uniplex 84
C20H34O8
402.4792
402.225368064
1,2,3-tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate
acetyl tributyl citrate
77-90-7
CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC
InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
QZCLKYGREBVARF-UHFFFAOYSA-N
belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
Tetracarboxylic acids and derivatives
Organic compounds
Organic acids and derivatives
Carboxylic acids and derivatives
Tetracarboxylic acids and derivatives
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid esters
Fatty acid esters
Hydrocarbon derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid ester
Fatty acid ester
Fatty acyl
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Tetracarboxylic acid or derivatives
Liquid
logp
3.77
logs
-4.75
solubility
7.13e-03 g/l
melting_point
-80 oC
logp
3.53
pka_strongest_acidic
16.18
pka_strongest_basic
-6.5
iupac
1,2,3-tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate
average_mass
402.4792
mono_mass
402.225368064
smiles
CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC
formula
C20H34O8
inchi
InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
inchikey
QZCLKYGREBVARF-UHFFFAOYSA-N
polar_surface_area
105.2
refractivity
100.7
polarizability
44.13
rotatable_bond_count
19
acceptor_count
4
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::NmrOneD
2633
Specdb::NmrOneD
3319
Specdb::CMs
12227
Specdb::CMs
27124
Specdb::CMs
101530
Specdb::CMs
155560
Specdb::EiMs
950
Specdb::MsMs
107118
Specdb::MsMs
107119
Specdb::MsMs
107120
Specdb::MsMs
174009
Specdb::MsMs
174010
Specdb::MsMs
174011
Specdb::MsMs
2236249
Specdb::MsMs
2237147
Specdb::MsMs
2240405
Specdb::MsMs
2241319
Specdb::MsMs
2242421
Specdb::MsMs
2243414
Specdb::MsMs
2348813
Specdb::MsMs
2348814
Specdb::MsMs
2348815
Specdb::MsMs
2586466
Specdb::MsMs
2586467
Specdb::MsMs
2586468
HMDB34159
#<Reference:0x00005556740ce2f0>
herbal
sweet
very faint
wine