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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene |
| InChI : | InChI=1/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18-,20+/m0/s1 |
| InChIKey : | KYLKKZSVPLUGCC-CMKODMSKBY |
| SMILES : | CC1(CCC[C@]2([C@H]1CCC(=C)[C@@H]2CCC(=C)C=C)C)C |
| cas number : | 511-02-4 |
| molar refractivity : | 89.38 ± 0.4 cm3 |
| parachor : | 720.6 ± 6.0 cm3 |
| index of refraction : | 1.492 ± 0.03 |
| surface tension : | 30.1 ± 5.0 dyne/cm |
| density : | 0.88 ± 0.1 g/cm3 |
| polarizability : | 35.43 ± 0.5 10-24cm3 |
| XlogP : | 6.80 |
| molecular weight : | 272.4680800 |
| formula : | C20 H32 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | powerful woody amber clary sage |
properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 337.00 to 338.00 °C. @ 760.00 mm Hg
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| flash point : | 305.00 °F. TCC ( 151.67 °C. )
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| logP (o/w) : | 8.71 |
safety :
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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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| recommendation for sclarene usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | (4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene
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| chemidplus : | 511-02-4 |
| EPA Substance Registry Services : | 511-02-4 |
references :
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| | (4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene
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| NIST Chemistry WebBook : | 511024 |
| pubchem : | 42402575 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |