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| IUPAC name : | 1-acetyloxynonan-2-yl acetate |
| InChI : | InChI=1/C13H24O4/c1-4-5-6-7-8-9-13(17-12(3)15)10-16-11(2)14/h13H,4-10H2,1-3H3 |
| InChIKey : | FLTHTXOHIZKWMR-UHFFFAOYAA |
| SMILES : | CCCCCCCC(COC(=O)C)OC(=O)C |
| (EINECS) number : | 272-068-1 |
| cas number : | 68683-25-0 |
| molar refractivity : | 65.78 ± 0.3 cm3 |
| parachor : | 596.2 ± 4.0 cm3 |
| index of refraction : | 1.438 ± 0.02 |
| surface tension : | 32.1 ± 3.0 dyne/cm |
| density : | 0.975 ± 0.06 g/cm3 |
| polarizability : | 26.07 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| molecular weight : | 244.3272600 |
| formula : | C13 H24 O4 |
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| export tariff code : | 2915.39.9050 |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | fresh watery floral muguet |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 302.00 to 303.00 °C. @ 760.00 mm Hg
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| logp : | 3.48 |
| shelf life : | 12.00 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) : |
Xi - Irritant |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for jasimia usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for jasimia usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
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| | 1-acetyloxynonan-2-yl acetate
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| (EINECS) number : | 272-068-1 |
| chemidplus : | 068683250 |
| EPA Substance Registry Services : | 68683-25-0 |
| NLM Chemical Carcinogenesis Research Information System : | 68683-25-0 |
| NLM Developmental and Reproductive Toxicity : | 68683-25-0 |
| NLM Env. Mutagen Info. Center : | 68683-25-0 |
| NLM GENetic TOXicology : | 68683-25-0 |
references :
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| | 1-acetyloxynonan-2-yl acetate
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| pubchem : | 740772 |
other :
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