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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | prop-2-enyl 3,5,5-trimethylhexanoate |
| InChI : | InChI=1/C12H22O2/c1-6-7-14-11(13)8-10(2)9-12(3,4)5/h6,10H,1,7-9H2,2-5H3 |
| InChIKey : | NSXNWIWVNIJLHK-UHFFFAOYAL |
| SMILES : | CC(CC(=O)OCC=C)CC(C)(C)C |
| (EINECS) number : | 275-536-3 |
| cas number : | 71500-37-3 |
| molar refractivity : | 59.06 ± 0.3 cm3 |
| parachor : | 515.7 ± 4.0 cm3 |
| index of refraction : | 1.436 ± 0.02 |
| surface tension : | 27.3 ± 3.0 dyne/cm |
| density : | 0.878 ± 0.06 g/cm3 |
| polarizability : | 23.41 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 180.2435400 |
| formula : | C11 H16 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Oxford Chemicals Ltd : | ALLYL 3,5,5-TRIMETHYLHEXANOATE |
| | ≥98.00%, Kosher |
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | fruity pineapple spicy |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86900 - 0.87600 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.239 to 7.298
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| refractive index : | 1.42900 - 1.43300 @ 20.00 °C.
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| boiling point : | 208.00 - 210.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.16 |
safety :
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| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 1400.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 181.00 °F. TCC ( 82.78 °C. )
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl 3,5,5-trimethyl hexanoate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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safety links :
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| (EINECS) number : | 275-536-3 |
| chemidplus : | 071500373 |
| epa-srs : | 71500-37-3 |
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| EPI System : | Click here |
other :
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references :
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| pubchem : | 3765018 |
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