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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3,7-dimethyloct-6-enyl acetate |
| InChI : | InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3 |
| InChIKey : | JOZKFWLRHCDGJA-UHFFFAOYAB |
| SMILES : | CC(CCC=C(C)C)CCOC(=O)C |
| (EINECS) number : | 266-767-0 |
| cas number : | 67601-05-2 |
| fema number : | 2311 |
| molar refractivity : | 59.27 ± 0.3 cm3 |
| parachor : | 515.0 ± 4.0 cm3 |
| index of refraction : | 1.442 ± 0.02 |
| surface tension : | 28.0 ± 3.0 dyne/cm |
| density : | 0.885 ± 0.06 g/cm3 |
| polarizability : | 23.49 ± 0.5 10-24cm3 |
| xlogp : | 4.00 |
| molecular weight : | 198.3018800 |
| formula : | C12 H22 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9090 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | fresh fruity rose bergamot rose sweet |
| substantivity : | 8 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88500 - 0.89500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.364 to 7.447
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| refractive index : | 1.44100 - 1.44500 @ 20.00 °C.
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| boiling point : | 118.00 - 122.00 °C. @ 15.00 mm Hg
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| boiling point : | 258.00 - 259.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.28 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 6800.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >2000.00 mg/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 190.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 240.00 °F. TCC ( 115.56 °C. )
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| recommendation for laevo-citronellyl acetate usage levels up to : |
| | 15.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 266-767-0 |
| chemidplus : | 067601052 |
| epa-srs : | 67601-05-2 |
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| other : | |
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| references : | |
| pubchem : | 683947 |
| NIST Chemistry WebBook : | 000150845 |
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