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| IUPAC name : | diethyl benzene-1,2-dicarboxylate |
| InChI : | InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey : | FLKPEMZONWLCSK-UHFFFAOYAV |
| SMILES : | CCOC(=O)C1=CC=CC=C1C(=O)OCC |
| cas number : | 84-66-2 |
| (EINECS) number : | 201-550-6 |
| beilstein number : | 1912500 |
| molar refractivity : | 59.06 ± 0.3 cm3 |
| parachor : | 496.5 ± 4.0 cm3 |
| index of refraction : | 1.507 ± 0.02 |
| surface tension : | 39.3 ± 3.0 dyne/cm |
| density : | 1.121 ± 0.06 g/cm3 |
| polarizability : | 23.41 ± 0.5 10-24cm3 |
| XlogP : | 2.70 |
| molecular weight : | 222.2371600 (IUPAC) |
| formula : | C12 H14 O4 |
| BioActivity Analysis : | 74519 |
| NMR Predictor : | Predict |
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| export tariff code : | 2917.39.4000 |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | DIETHYL PHTHALATE
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| John D. Walsh : | Diethyl Phthalate
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| Moellhausen : | diethyl phthalate
98% min. nature identical kosher Odor: practically odourless. Flavor: bitter, slightly fruity. |
| Penta : | diethyl phthalate
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| Sigma-Aldrich-SAFC : | Diethyl phthalate
≥99% |
| Tokyo Chemical Industry : | Diethyl Phthalate
>98.0%(GC) |
| Unitex : | UNIPLEX 105
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| Vigon : | Diethyl Phthalate
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organoleptics :
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| odor type : | odorless |
| odor strength : | none |
odor description : at 100.00 %. | odorless |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.11500 to 1.11800 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.278 to 9.303
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| refractive index : | 1.49900 to 1.50300 @ 20.00 °C.
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| melting point : | -3.00 °C. @ 760.00 mm Hg
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| boiling point : | 172.00 °C. @ 12.00 mm Hg
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| boiling point : | 298.00 to 299.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.00210 mm/Hg @ 25.00 °C. |
| vapor density : | 7.7 ( Air = 1 ) |
| flash point : | 320.00 °F. TCC ( 160.00 °C. )
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| logP (o/w) : | 2.42 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 63 - Possible risk of harm to the unborn child. S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Human experience : | 100 %: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 8600.00 mg/kg GTPZAB 24(3),25,1980
Intraperitoneal-Rat 5058.00 ul/kg
Oral-Rabbit 1000.00 mg/kg
Oral-Mouse 6172.00 mg/kg
Intraperitoneal-Mouse 2749.00 mg/kg
Oral-Guineapig 8600.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Subcutaneous-Guineapig 3000.00 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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| recommendation for diethyl phthalate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for diethyl phthalate usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| EPA-Iris : | IRIS |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 2 |
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| | diethyl benzene-1,2-dicarboxylate
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| (EINECS) number : | 201-550-6 |
| RTECS : | 84-66-2 |
| chemidplus : | 000084662 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 84-66-2 |
| dtp/nci : | 8905 |
references :
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| | diethyl benzene-1,2-dicarboxylate
|
| NIST Chemistry WebBook : | 212480977 |
| pubchem : | 149772 |
Cosmetics :
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| Cosmetic uses : |
denaturants
film formers
hair conditioning
masking agents
plasticisers
solvents
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other :
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| CosIng : | cosmetic data |
| Household Products : | Search |