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| IUPAC name : | bis(2-ethylhexyl) hexanedioate |
| InChI : | InChI=1/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey : | SAOKZLXYCUGLFA-UHFFFAOYAQ |
| SMILES : | CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC |
| cas number : | 103-23-1 |
| (EINECS) number : | 203-090-1 |
| beilstein number : | 1803774 |
| molar refractivity : | 107.43 ± 0.3 cm3 |
| parachor : | 951.6 ± 4.0 cm3 |
| index of refraction : | 1.450 ± 0.02 |
| surface tension : | 32.2 ± 3.0 dyne/cm |
| density : | 0.927 ± 0.06 g/cm3 |
| polarizability : | 42.59 ± 0.5 10-24cm3 |
| XlogP : | 6.80 |
| molecular weight : | 370.5664800 (IUPAC) |
| formula : | C22 H42 O4 |
| BioActivity Analysis : | 48413761 |
| NMR Predictor : | Predict |
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| export tariff code : | 2917.12.5000 |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | DIOCTYL ADIPATE
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| Tokyo Chemical Industry : | Bis(2-ethylhexyl) Adipate
>98.0%(GC) |
| Unitex : | UNIPLEX 125-A
99.0% minimum |
| Vigon : | Dioctyl Adipate
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organoleptics :
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properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99000 @ 25.00 °C.
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| refractive index : | 1.44700 @ 20.00 °C.
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| melting point : | -67.00 °C. @ 760.00 mm Hg
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| boiling point : | 416.00 to 418.00 °C. @ 760.00 mm Hg
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| boiling point : | 166.00 to 168.00 °C. @ 1.00 mm Hg
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| flash point : | 336.00 °F. TCC ( 168.89 °C. )
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| logP (o/w) : | 6.11 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Oral-Rat 9100.00 mg/kg
intravenous-Rat 900.00 mg/kg
Intraperitoneal-Rat >50.00 ml/kg
intravenous-Rabbit 540.00 mg/kg
Oral-Mouse 15000.00 mg/kg
Intraperitoneal-Mouse >100.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 16.00 ml/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 dioctyl adipate usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
| EPA-Iris : | IRIS |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| EPA GENetic TOXicology : | 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 |
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| WGK Germany : | 1 |
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| | bis(2-ethylhexyl) hexanedioate
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| (EINECS) number : | 203-090-1 |
| RTECS : | 103-23-1 |
| chemidplus : | 000103231 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 103-23-1 |
| dtp/nci : | 56775 |
references :
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| | bis(2-ethylhexyl) hexanedioate
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| NIST Chemistry WebBook : | 629048330 |
| pubchem : | 150722 |
Cosmetics :
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| Cosmetic uses : |
emollients
film formers
plasticisers
skin conditioning
solvents
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other :
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| CosIng : | cosmetic data |
| Household Products : | Search |