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| IUPAC name : | 3,7-dimethyloctan-1-ol |
| InChI : | InChI=1/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3 |
| InChIKey : | PRNCMAKCNVRZFX-UHFFFAOYAU |
| SMILES : | CC(C)CCCC(C)CCO |
| (EINECS) number : | 203-374-5 |
| cas number : | 106-21-8 |
| beilstein number : | 1719638 |
| fema number : | 2391 |
| coe number : | 75 |
| jecfa number : | 272 |
| fl. number : | 02.026 |
| molar refractivity : | 49.82 ± 0.3 cm3 |
| parachor : | 441.4 ± 4.0 cm3 |
| index of refraction : | 1.432 ± 0.02 |
| surface tension : | 28.0 ± 3.0 dyne/cm |
| density : | 0.824 ± 0.06 g/cm3 |
| polarizability : | 19.75 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 158.2810800 |
| formula : | C10 H22 O |
| BioActivity Analysis : | 81873 |
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| fda reg : | 172.515 |
h. number : | 2905.29.9000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | waxy rose leather musty plastic |
| taste description³ : | at 1.00 - 10.00 ppm. Fatty, waxy, soapy with floral rosy and fresh citrus woody nuances |
| substantivity : | 24 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.82700 - 0.83000 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.881 to 6.906
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| specific gravity : | 0.82500 - 0.83300 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.873 to 6.939
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| refractive index : | 1.43400 - 1.43600 @ 20.00 °C.
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| boiling point : | 95.00 - 96.00 °C. @ 9.00 mm Hg
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| boiling point : | 213.00 - 218.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.70 |
| 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 N - Irritant, Dangerous for the environment. |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg FCTXAV 12,535,1974
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 2400.00 mg/kg FCTXAV 12,535,1974
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| flash point ( Deg. F. ) : | 190.00 °F. TCC ( 87.78 °C. )
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| recommendation for dimethyl octanol usage levels up to : |
| | 20.0000 % in the fragrance concentrate.
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| recommendation for dimethyl octanol usage levels up to : |
| | 40.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 203-374-5 |
| rtecs : | RH0900000 for 106-21-8 |
| chemidplus : | 000106218 |
| epa-srs : | 106-21-8 |
| dtp/nci : | 18917 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 150884 |
| NIST Chemistry WebBook : | 1440656317 |
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| reference : | Mosciano, Gerard P&F 25, No. 6, 26, (2000)³ |