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| IUPAC name : | 3,6-dimethyloctan-3-ol |
| InChI : | InChI=1/C10H22O/c1-5-9(3)7-8-10(4,11)6-2/h9,11H,5-8H2,1-4H3 |
| InChIKey : | NPHCXUPGMINOPP-UHFFFAOYAF |
| SMILES : | CCC(C)CCC(C)(CC)O |
| (EINECS) number : | 205-787-6 |
| cas number : | 151-19-9 |
| fl. number : | 02.147 |
| molar refractivity : | 49.83 ± 0.3 cm3 |
| parachor : | 439.2 ± 4.0 cm3 |
| index of refraction : | 1.433 ± 0.02 |
| surface tension : | 27.6 ± 3.0 dyne/cm |
| density : | 0.826 ± 0.06 g/cm3 |
| polarizability : | 19.75 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 158.2810800 |
| formula : | C10 H22 O |
| BioActivity Analysis : | 71705 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | fresh linalool woody sweet rose |
| substantivity : | 12 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83660 @ 20.00 °C.
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| refractive index : | 1.43700 @ 20.00 °C.
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| boiling point : | 202.00 - 203.00 °C. @ 760.00 mm Hg
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| logp : | 3.60 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 180.00 °F. TCC ( 82.22 °C. )
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| recommendation for 3,6-dimethyl-3-octanol usage levels up to : | | | 20.0000 % in the fragrance concentrate.
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| recommendation for 3,6-dimethyl-3-octanol usage levels up to : | | | not for flavor use.
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| safety links : | |
| (EINECS) number : | 205-787-6 |
| chemidplus : | 000151199 |
| epa-srs : | 151-19-9 |
| dtp/nci : | 5613 |
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| other : | |
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| references : | |
| pubchem : | 152209 |
| NIST Chemistry WebBook : | 2266806236 |
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| synonyms : |
| | aprol 100 | | 3,6- | dimethyl octan-3-ol | | 3,6- | dimethyl-3-octanol |
| soluble in : |
| | alcohol | | | diethyl phthalate | | | mineral oil | | | water, slightly |
| insoluble in : |
| | water |
| stability : |
| | acidic | | | basic | | | oxidizing |
| (odor and/or flavor) used in : |
| | bois de rose rosewood | | | floral | | | rose |
| natural occurrence in : |
| not found in nature |
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