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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (4Z)-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene |
| InChI : | InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6- |
| InChIKey : | NPNUFJAVOOONJE-WDZFZDKYBX |
| SMILES : | C/C/1=C/CCC(=C)C2CC(C2CC1)(C)C |
| cas number : | 13877-93-5 |
| % from : | 92.00% |
| fema number : | 2252 |
| coe number : | 2618 |
| molar refractivity : | 66.59 ± 0.4 cm3 |
| parachor : | 533.3 ± 6.0 cm3 |
| index of refraction : | 1.494 ± 0.03 |
| surface tension : | 29.7 ± 5.0 dyne/cm |
| density : | 0.89 ± 0.1 g/cm3 |
| polarizability : | 26.40 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 204.3510600 |
| formula : | C15 H24 |
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| IUPAC name : | (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| InChI : | InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1 |
| InChIKey : | NPNUFJAVOOONJE-GFUGXAQUBC |
| SMILES : | C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C |
| (EINECS) number : | 201-746-1 |
| cas number : | 87-44-5 |
| % from : | 8.00% |
| fema number : | 2252 |
| coe number : | 2118 |
| jecfa number : | 1324 |
| fl. number : | 01.007 |
| molar refractivity : | 66.59 ± 0.4 cm3 |
| parachor : | 533.3 ± 6.0 cm3 |
| index of refraction : | 1.494 ± 0.03 |
| surface tension : | 29.7 ± 5.0 dyne/cm |
| density : | 0.89 ± 0.1 g/cm3 |
| polarizability : | 26.40 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 204.3510600 |
| formula : | C15 H24 |
| BioActivity Analysis : | 26754425 |
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| fda reg : | 172.515 |
h. number : | 2902.19.1000 |
| organoleptics : | |
| odor type : | spicy |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet woody spice clove dry |
| taste description³ : | at 50.00 ppm.
Spicy pepper-like, woody, camphoraceous, with a citrus background |
| substantivity : | 44 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 92.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89700 - 0.91000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.464 to 7.572
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| refractive index : | 1.49800 - 1.50400 @ 20.00 °C.
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| optical rotation : | -5.00 to -10.00
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| boiling point : | 129.00 - 130.00 °C. @ 14.00 mm Hg
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| boiling point : | 254.00 - 257.00 °C. @ 760.00 mm Hg
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| logp : | 6.78 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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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. ) : | 205.00 °F. TCC ( 96.11 °C. )
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| recommendation for beta-caryophyllene usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for beta-caryophyllene usage levels up to : |
| | 200.0000 ppm in the flavor.
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| safety links : | |
| rtecs : | DT8400000 for 13877-93-5 |
| chemidplus : | 013877935 |
| epa-srs : | 13877-93-5 |
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| (EINECS) number : | 201-746-1 |
| rtecs : | DT8400000 for 87-44-5 |
| chemidplus : | 000087445 |
| epa-srs : | 87-44-5 |
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| other : | |
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| references : | |
| pubchem : | 169057 |
| NIST Chemistry WebBook : | 3203504412 |
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| pubchem : | 149890 |
| NIST Chemistry WebBook : | 1527654742 |
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| reference : | Mosciano, Gerard P&F 17, No. 4, 33, (1992)³ |