Triethyl Citrate
PubChem CID: 6506
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| Compound Synonyms | TRIETHYL CITRATE, 77-93-0, Ethyl citrate, Citroflex 2, Eudraflex, Hydragen CAT, Citric acid, triethyl ester, Triaethylcitrat, Triethylcitrate, triethyl 2-hydroxypropane-1,2,3-tricarboxylate, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester, Citric Acid Triethyl Ester, FEMA No. 3083, Citroflex ec, Citrofol ai, Morflex tec, Crodamol TC, Triaethylcitrat [German], Uniflex TEC, Citroflex c 2, Triethylester kyseliny citronove, Citroflex sc 60, Morflex c 2, Uniplex 80, Hydagen C.A.T, NSC 8907, HSDB 729, Triethyl citrate (NF), Triethyl citrate [NF], Citric acid ethyl ester, UNII-8Z96QXD6UM, NSC-8907, EINECS 201-070-7, 8Z96QXD6UM, Triethyl 2-hydroxy-1,2,3-propanetricarboxylate, BRN 1801199, Triethylester kyseliny citronove [Czech], DTXSID0040701, INS NO.1505, AI3-00659, E1505, INS-1505, 2-Hydroxy-1,2,3-propanetricarboxylic acid, triethyl ester, TRIETHYL CITRATE [II], TRIETHYL CITRATE [FCC], TRIETHYL CITRATE [FHFI], TRIETHYL CITRATE [HSDB], DTXCID8020701, FEMA 3083, TRIETHYL CITRATE [MART.], NSC8907, E-1505, EC 201-070-7, TRIETHYL CITRATE [USP-RS], CITRIC ACID ETHYL ESTER [MI], 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate, TRIETHYL CITRATE [EP MONOGRAPH], Ethyl citrate, citric acid triethyl ester, 2-Hydroxy-1,2,3-propanetricarboxylic acid, delta triethyl ester, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-triethyl ester, TEC, TRIETHYL CITRATE (II), TRIETHYL CITRATE (MART.), TRIETHYL CITRATE (USP-RS), TRIETHYL CITRATE (EP MONOGRAPH), C12H20O7, Triethyl citrate, Triethyl 2-hydroxypropane-1,2,3-tricarboxylate, Triethyl citric acid, Triethyl Citrate, FCC, Triethyl citrate (Standard), SCHEMBL23465, CHEMBL464988, TRIETHYL CITRATE [INCI], WLN: 2OV1XQVO2&1VO2, CHEBI:168426, HY-W011602R, Tox21_300004, MFCD00009201, MSK014232, s6223, Triethyl citrate, analytical standard, Triethyl citrate, >=98.0% (GC), AKOS015838720, CS-W012318, FT33634, HY-W011602, Triethyl citrate, >=99%, FCC, FG, CAS-77-93-0, NCGC00164037-01, NCGC00164037-02, NCGC00253989-01, Triethyl citrate, natural, >=97%, FG, Triethyl citrate, natural, >=99%, FG, BS-18150, 1ST014232, DB-056271, MSK014232-1000, Triethyl 2hydroxy1,2,3propanetricarboxylate, NS00008140, triethyl2-hydroxypropane-1,2,3-tricarboxylate, D06228, D70438, Triethyl 2-hydroxy-1,2,3-propane-tricarboxylate, Triethyl citrate, Vetec(TM) reagent grade, 98%, 1ST014232-1000, A839294, Q418057, SR-01000883952, Triethyl 2-hydroxy-1,2,3-propanetricarboxylate #, Triethyl citrate Solution in Acetone, 1000?g/mL, Triethyl citrate Solution in Acetone, 1000mug/mL, SR-01000883952-1, 2-hydroxy-propane-1,2,3-tricarboxylic acidtriethyl ester, 2Hydroxy1,2,3propanetricarboxylic acid, triethyl ester, Flavor and Extract Manufacturers' Association No. 3083, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-,triethyl ester, 1,2,3Propanetricarboxylic acid, 2hydroxy, triethyl ester, 1,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester, Triethyl citrate, United States Pharmacopeia (USP) Reference Standard, Triethyl citrate, Pharmaceutical Secondary Standard, Certified Reference Material, 201-070-7, 629-703-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 99.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCOC=O)CCC=O)OCC)))))CC=O)OCC)))))O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | It is used in foods as a flavouring agent, solvent and surface-active agent Triethyl citrate is an ester of citric acid. It is a colorless, odorless liquid used as a food additive (E number E1505) to stabilize foams, especially as whipping aid for egg white. In pharmaceutical coatings and plastics. |
| Classyfire Subclass | Tricarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 304.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O75762, Q16236 |
| Iupac Name | triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| Class | Carboxylic acids and derivatives |
| Veber Rule | False |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.1 |
| Superclass | Organic acids and derivatives |
| Subclass | Tricarboxylic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H20O7 |
| Inchi Key | DOOTYTYQINUNNV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester, 2-Hydroxy-1,2,3-propanetricarboxylic acid, triethyl ester, Citric acid, triethyl ester, Citroflex 2, Crodamol TC, E1505, Ethyl citrate, Ethyl citrate, citric acid triethyl ester, Eudraflex, FEMA 3083, Hydagen c.a.t, Hydragen cat, TEC, Triaethylcitrat, Triethyl 2-hydroxy-1,2,3-propanetricarboxylate, Triethyl citrate, Triethyl citrate (NF), Triethyl citric acid, Triethylester kyseliny citronove, Uniflex tec, Uniplex 80, turpentine |
| Substituent Name | Tricarboxylic acid or derivatives, Fatty acid ester, Beta-hydroxy acid, Fatty acyl, Hydroxy acid, Tertiary alcohol, Carboxylic acid ester, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | Triethyl Citrate |
| Kingdom | Organic compounds |
| Exact Mass | 276.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 276.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3 |
| Smiles | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Kesiya (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279