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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (4-tert-butylcyclohexyl) acetate |
| InChI : | InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3 |
| InChIKey : | MBZRJSQZCBXRGK-UHFFFAOYAF |
| SMILES : | CC(=O)OC1CCC(CC1)C(C)(C)C |
| (EINECS) number : | 250-954-9 |
| cas number : | 32210-23-4 |
| molar refractivity : | 57.38 ± 0.4 cm3 |
| parachor : | 498.8 ± 6.0 cm3 |
| index of refraction : | 1.450 ± 0.03 |
| surface tension : | 30.0 ± 5.0 dyne/cm |
| density : | 0.93 ± 0.1 g/cm3 |
| polarizability : | 22.74 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 198.3018800 |
| formula : | C12 H22 O2 |
| BioActivity Analysis : | 438072 |
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| fda reg : | unspecified |
h. number : | 2916.35.1500 |
| organoleptics : | |
| odor type : | woody |
| odor strength : | medium |
odor description : at 100.00 %. | woody cedar floral oily herbal balsam green fruity |
| substantivity : | 8 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93400 - 0.93900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.772 to 7.813
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| specific gravity : | 0.93300 - 0.93700 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.773 to 7.806
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| refractive index : | 1.45000 - 1.45400 @ 20.00 °C.
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| boiling point : | 228.00 - 230.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.96 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 5.00 gm/kg FCTXAV 16,657,1978
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
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| flash point ( Deg. F. ) : | 206.00 °F. TCC ( 96.67 °C. )
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| recommendation for woody acetate usage levels up to : |
| | 20.0000 % in the fragrance concentrate.
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| recommendation for woody acetate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 250-954-9 |
| rtecs : | AF7117000 for 32210-23-4 |
| chemidplus : | 032210234 |
| epa-srs : | 32210-23-4 |
| dtp/nci : | 163103 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 177634 |
| NIST Chemistry WebBook : | 1421766050 |
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