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| IUPAC name : | (2,3-dimethyl-1-prop-1-en-2-yl-6-bicyclo[2.2.1]hept-2-enyl)methanol |
| InChI : | InChI=1/C13H20O/c1-8(2)13-6-11(5-12(13)7-14)9(3)10(13)4/h11-12,14H,1,5-7H2,2-4H3 |
| InChIKey : | MLDAJXVVSUEALX-UHFFFAOYAN |
| SMILES : | CC1=C(C2(CC1CC2CO)C(=C)C)C |
| cas number : | 110458-85-0 |
| molar refractivity : | 58.85 ± 0.3 cm3 |
| parachor : | 466.4 ± 6.0 cm3 |
| index of refraction : | 1.520 ± 0.02 |
| surface tension : | 33.8 ± 3.0 dyne/cm |
| density : | 0.994 ± 0.06 g/cm3 |
| polarizability : | 23.33 ± 0.5 10-24cm3 |
| XlogP : | 2.90 |
| molecular weight : | 192.2973000 (IUPAC) |
| formula : | C13 H20 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | woody |
| odor strength : | medium |
odor description: at 100.00 %. | fresh woody ozone clean outdoor |
| substantivity : | 156 Hour(s) |
properties :
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| appearence : | yellow clear liquid |
| assay : | 90.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97800 to 0.98700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.138 to 8.213
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| refractive index : | 1.50800 to 1.51500 @ 20.00 °C.
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| boiling point : | 120.00 °C. @ 5.00 mm Hg
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| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 3.58 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | fragrance agents |
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| recommendation for woody heptene fragrance usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for woody heptene flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | (2,3-dimethyl-1-prop-1-en-2-yl-6-bicyclo[2.2.1]hept-2-enyl)methanol |
| chemidplus : | 110458850 |
| EPA Substance Registry Services : | 110458-85-0 |
references :
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| | (2,3-dimethyl-1-prop-1-en-2-yl-6-bicyclo[2.2.1]hept-2-enyl)methanol |
| pubchem : | 662981 |
other :
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