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| IUPAC name : | 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI : | InChI=1/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 |
| InChIKey : | DOOTYTYQINUNNV-UHFFFAOYAG |
| SMILES : | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O |
| cas number : | 77-93-0 |
| (EINECS) number : | 201-070-7 |
| beilstein number : | 1801199 |
| fema number : | 3083 |
| coe number : | 11762 |
| jecfa number : | 629 |
| fl. number : | 09.512 |
| molar refractivity : | 64.46 ± 0.3 cm3 |
| parachor : | 595.5 ± 4.0 cm3 |
| index of refraction : | 1.461 ± 0.02 |
| surface tension : | 41.5 ± 3.0 dyne/cm |
| density : | 1.177 ± 0.06 g/cm3 |
| polarizability : | 25.55 ± 0.5 10-24cm3 |
| molecular weight : | 276.2830000 (IUPAC) |
| formula : | C12 H20 O7 |
| NMR Predictor : | Predict |
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| export tariff code : | 2918.15.0000 |
| fda reg : | 175.300 175.320 181.27 |
Suppliers :
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| Aceto : | Triethyl Citrate
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| Advanced Biotech : | triethyl citrate
99% min. natural Odor: Faintly, Wine, Plum |
| Advanced Biotech : | triethyl citrate
99% min. synthetic Odor: Odorless |
| Apple : | Triethyl Cirtrate
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| Berje : | Triethyl Citrate
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| Berje : | Triethyl Citrate
Natural |
| John D. Walsh : | Triethyl Citrate (Citroflex)
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| Mooreganics : | Triethyl Citrate
Natural (Organic Compliant) Odor: ESSENTIALLY ODORLESS |
| Penta : | triethyl citrate
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| SAFC Global® : | Triethyl citrate
≥99%, FCC, Kosher, FG Odor: wine-like; plum; sweet |
| SAFC Global® : | Triethyl citrate
natural, =97% |
| Tokyo Chemical Industry : | Triethyl Citrate
>98.0%(GC) |
| Unitex : | UNIPLEX 80
99% |
| Vigon : | Triethyl Citrate
Odor: ESSENTIALLY ODORLESS |
organoleptics :
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| odor type : | odorless |
| odor strength : | none |
odor description: at 100.00 %. | odorless to mild fruity wine Luebke, William tgsc, (1981) |
| odor sample from : | Berje Inc. |
| substantivity : | 216 Hour(s) |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.13500 to 1.13900 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.444 to 9.478
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| refractive index : | 1.43200 to 1.44400 @ 20.00 °C.
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| melting point : | -46.00 °C. @ 760.00 mm Hg
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| boiling point : | 127.00 °C. @ 1.00 mm Hg
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| acid value : | 0.50 max. KOH/g
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| vapor pressure : | 0.70000 mm/Hg @ 20.00 °C. |
| vapor density : | 9.7 ( Air = 1 ) |
| flash point : | 245.00 °F. TCC ( 118.33 °C. )
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| logP (o/w) : | 0.33 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Human experience : | 20 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat 5900.00 mg/kg Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 214, 1985.
Gavage-Rat 7000.00 mg/kg (Finkelstein & Gold, 1959)
Intraperitoneal-Rat 4000.00 mg/kg
Intraperitoneal-Mouse 1750.00 mg/kg
Oral-Guineapig >25.00 ml/kg
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5000.00 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 389, 1979.
Subcutaneous-Rat 6600.00 mg/kg
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | solvents/deluents for flavor and/or fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 2900.00 (μg/capita/day) |
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| recommendation for triethyl citrate fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for triethyl citrate flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| msds : | msds |
| EPI System : | view |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 1 |
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| | 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| (EINECS) number : | 201-070-7 |
| RTECS : | 77-93-0 |
| chemidplus : | 000077930 |
| EPA Substance Registry Services : | 77-93-0 |
| dtp/nci : | 8907 |
references :
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| | 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| fl. number : | 09.512 |
| jecfa number : | 629 |
| NIST Chemistry WebBook : | 3021969264 |
| pubchem : | 149470 |
Cosmetics :
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| Cosmetic uses : |
antioxidants
deodorants
masking agents
plasticisers
solvents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Household Products : | Search |