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| IUPAC name : | (E)-2-methyl-1-(6-methyl-6-bicyclo[2.2.1]hept-2-enyl)pent-1-en-3-ol |
| InChI : | InChI=1/C14H22O/c1-4-13(15)10(2)8-14(3)9-11-5-6-12(14)7-11/h5-6,8,11-13,15H,4,7,9H2,1-3H3/b10-8+ |
| InChIKey : | RZXAQFGBENAOAJ-CSKARUKUBC |
| SMILES : | CCC(/C(=C/C1(CC2CC1C=C2)C)/C)O |
| cas number : | 67739-11-1 |
| molar refractivity : | 65.53 ± 0.3 cm3 |
| parachor : | 506.5 ± 4.0 cm3 |
| index of refraction : | 1.569 ± 0.02 |
| surface tension : | 41.1 ± 3.0 dyne/cm |
| density : | 1.031 ± 0.06 g/cm3 |
| polarizability : | 25.97 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 206.3238800 |
| formula : | C14 H22 O |
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| export tariff code : | 2906.19.5000 |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | woody |
| odor strength : | medium |
odor description : at 100.00 %. | woody greasy sweet sandalwood guaiacwood |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear viscous liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98000 to 0.98500 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.164 to 8.206
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| refractive index : | 1.49000 to 1.50000 @ 20.00 °C.
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| boiling point : | 80.00 to 81.00 °C. @ 1.00 mm Hg
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| boiling point : | 295.00 to 296.00 °C. @ 760.00 mm Hg
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| logp : | 3.98 |
safety :
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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. ) : | 0 251.00 °F. TCC ( 0 121.67 °C. )
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| recommendation for methyl sandal usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for methyl sandal usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
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| | (E)-2-methyl-1-(6-methyl-6-bicyclo[2.2.1]hept-2-enyl)pent-1-en-3-ol
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| chemidplus : | 067739111 |
| EPA Substance Registry Services : | 67739-11-1 |
| NLM Chemical Carcinogenesis Research Information System : | 67739-11-1 |
| NLM Developmental and Reproductive Toxicity : | 67739-11-1 |
| NLM Env. Mutagen Info. Center : | 67739-11-1 |
| NLM GENetic TOXicology : | 67739-11-1 |
references :
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| | (E)-2-methyl-1-(6-methyl-6-bicyclo[2.2.1]hept-2-enyl)pent-1-en-3-ol
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| pubchem : | 684000 |
other :
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