Compound: ACETYL TRIBUTYL CITRATE
SMILES: O=C(OCCCC)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC
InChIKey: QZCLKYGREBVARF-UHFFFAOYSA-N
Synonyms: ACETYL TRIBUTYL CITRATE, 77-90-7, tributyl 2-acetoxypropane-1,2,3-tricarboxylate, Acetyltributyl citrate, Tributyl acetylcitrate, Citroflex A, Blo-trol, Citroflex A 4, Tributyl citrate acetate, ATBC, 2-Acetyltributylcitrate, Tributyl acetyl citrate, FEMA No. 3080, Acetylcitric acid, tributyl ester, Citric acid, tributyl ester, acetate, DTXSID2026446, 2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester, Tributyl 2-acetoxy-1,2,3-propanetricarboxylate, NSC-3894, Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate, 0ZBX0N59RZ, DTXCID006446, 1,2,3-tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate, ATBC plasticizer, 201-067-0, RefChem:552467, Tributyl O-acetylcitrate, Tributyl 2-acetylcitrate, 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester, o-Acetylcitric acid tributyl ester, Tributyl acetylicitrate, NSC 3894, Uniplex 84, Acetyl butyl citrate, tributyl 2-acetyloxypropane-1,2,3-tricarboxylate, C20H34O8, Acetyl tri-n-butyl citrate, acetyltributylcitrate, 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester, Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid, 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tributyl ester, Caswell No. 005AB, MFCD00043554, CAS-77-90-7, CCRIS 3409, HSDB 656, EINECS 201-067-0, UNII-0ZBX0N59RZ, Acetyltributyl citrate [NF], BRN 2303316, Estaflex, AI3-01999, Estaflex ATC, Citric acid, acetyl tributyl ester, Pfizer citroflex A-4, tributyl-o-acetyl citrate, Tributyl acetylcitrate CRS, EC 201-067-0, SCHEMBL23183, orb1705688, orb3025956, Tributyl O-acetylcitrate, 98%, CHEMBL1904556, Acetyl Tributyl Citrate (ATBC), FEMA 3080, NSC3894, CHEBI:168067, ACETYLTRIBUTYL CITRATE [II], 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, tributyl ester, Tox21_112777, Tox21_201779, Tox21_303128, ACETYLTRIBUTYL CITRATE [HSDB], MSK001927, TRIBUTYL ACETYLCITRATE [FHFI], AKOS015895884, TRIBUTYL ACETYLCITRATE [MART.], ACETYLTRIBUTYL CITRATE [USP-RS], CS-W011697, FT61223, HY-W010981, MSK001927-100H, Tributyl 2-acetylcitrate, >=98%, FG, MSK001927-1000H, NCGC00164157-01, NCGC00164157-02, NCGC00257221-01, NCGC00259328-01, BS-18149, DA-78604, NCI60_003698, CITRIC ACID, O-ACETYLTRIBUTYL ESTER, MSK001927-1000, A0822, Citric acid, tributyl ester, acetate (8CI), NS00010307, Tributyl 2-acetoxy-1,3-propanetricarboxylate, TRIBUTYL ACETYLCITRATE [EP MONOGRAPH], Tributyl acetylcitrate for peak identification, D70155, Tributyl 2-acetoxy-1,2, 3-propanetricarboxylate, F544675, SR-01000883988, Tributyl acetylcitrate for peak identification CRS, Q4673294, SR-01000883988-1, Tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate, Acetyl tributyl citrate Solution in Hexane, 100ug/mL, Tributyl 2-(acetyloxy)-1,3-propanetricarboxylic acid, 2-Acetoxy-1,3-propanetricarboxylic acid tributyl ester, Acetyl tributyl citrate Solution in Hexane, 1000?g/mL, Acetyl tributyl citrate Solution in Hexane, 1000ug/mL, Tributyl 2-(acetyloxy)-1,2, 3-propanetricarboxylic acid, 2-Acetoxy-1,2, 3-propanetricarboxylic acid tributyl ester, 1,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester, 2-(Acetyloxy)-1,2,3-propane tricarboxylic acid, tributyl ester, Acetyltributyl citrate, United States Pharmacopeia (USP) Reference Standard, Tributyl acetylcitrate, European Pharmacopoeia (EP) Reference Standard, Tributyl 2-acetylcitrate, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C20H34O8
molecular_weight: 402.5 g/mol
exact_mass: 402.22536804 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 19
heavy_atom_count: 28
topological_polar_surface_area: 105 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Very faint sweet, herbaceous odor
boiling_point: 331 °C at 732 mm Hg
melting_point: -80 °C
density: 1.046 at 25 °C
solubility: In water, 5 mg/L, temp not specified
flash_point: 204 °C
vapor_pressure: 0.00000455 [mmHg]
Descriptions:
pubchem: Acetyl tributyl citrate is an organooxygen compound. It is functionally related to a tetracarboxylic acid.
chembl: ACETYLTRIBUTYL CITRATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Acetyltributylcitrate is an organic compound that is used as a plasticizer. As such, it is a potential replacement of DEHP and DINP. It is a colorless liquid that is soluble in organic solvents. It is found in nail polish and other cosmetics. It is prepared by acetylation of tributylcitrate.