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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene |
| InChI : | InChI=1/C13H24O/c1-9-5-11-7-13(3,4)8-14-12(11)6-10(9)2/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12-/m1/s1
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| InChIKey : | QJXQUYFHUHWIDD-NOOOWODRBA |
| SMILES : | C[C@@H]1C[C@H]2CC(CO[C@@H]2C[C@@H]1C)(C)C |
| (EINECS) number : | 276-659-5 |
| cas number : | 72429-08-4 |
| molar refractivity : | 59.90 ± 0.3 cm3 |
| parachor : | 515.4 ± 4.0 cm3 |
| index of refraction : | 1.438 ± 0.02 |
| surface tension : | 26.1 ± 3.0 dyne/cm |
| density : | 0.861 ± 0.06 g/cm3 |
| polarizability : | 23.74 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| molecular weight : | 196.3290600 |
| formula : | C13 H24 O |
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| export tariff code : | 2932.99.0000 |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description¹ : at 10.00 % in dipropylene glycol. | petitgrain neroli grapefruit woody herbal cranberry |
| substantivity : | 23 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93900 - 0.94200 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.823 to 7.848
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| refractive index : | 1.48300 - 1.48600 @ 20.00 °C.
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| boiling point : | 200.00 °C. @ 760.00 mm Hg
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| boiling point : | 75.00 °C. @ 2.00 mm Hg
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| acid value : | 0.50 max. KOH/g
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| logp : | 4.46 |
safety :
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| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 212.00 °F. TCC ( 100.00 °C. )
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| recommendation for bigarade oxide usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for bigarade oxide usage levels up to : |
| | not for flavor use.
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safety links :
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| (EINECS) number : | 276-659-5 |
| chemidplus : | 072429084 |
| epa-srs : | 72429-08-4 |
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| EPI System : | Click here |
other :
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references :
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| pubchem : | 3888397 |
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| reference : | Luebke, William tgsc, (1995)¹ |