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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol |
| InChI : | InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3 |
| InChIKey : | PWDOJWCZWKWKSE-UHFFFAOYAJ |
| SMILES : | C\C1=C\CCC(C)(C)C1C=CC(C)O |
| (EINECS) number : | 246-815-7 |
| cas number : | 25312-34-9 |
| fema number : | 3624 |
| jecfa number : | 391 |
| fl. number : | 02.105 |
| molar refractivity : | 63.17 ± 0.3 cm3 |
| parachor : | 501.8 ± 6.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 34.9 ± 3.0 dyne/cm |
| density : | 0.941 ± 0.06 g/cm3 |
| polarizability : | 25.04 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 194.3131800 |
| formula : | C13 H22 O |
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| IUPAC name : | (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-ol |
| InChI : | InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+ |
| InChIKey : | PWDOJWCZWKWKSE-BQYQJAHWBV |
| SMILES : | CC1=CCCC(C1\C=C\C(C)O)(C)C |
| cas number : | 25312-34-9 |
| beilstein number : | 2327829 |
| molar refractivity : | 63.17 ± 0.3 cm3 |
| parachor : | 501.8 ± 6.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 34.9 ± 3.0 dyne/cm |
| density : | 0.941 ± 0.06 g/cm3 |
| polarizability : | 25.04 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 194.3131800 |
| formula : | C13 H22 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | ionone sweet vetiver violet |
| taste description³ : | at 10.00 ppm.
Woody ionone-like with a sweet perfume berry nuance |
| substantivity : | 88 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91200 - 0.92000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.589 to 7.655
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| refractive index : | 1.48500 - 1.49200 @ 20.00 °C.
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| boiling point : | 127.00 °C. @ 15.00 mm Hg
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| logp : | 4.31 |
| 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. ) : | 200.00 °F. TCC ( 93.33 °C. )
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| recommendation for alpha-ionol usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for alpha-ionol usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 246-815-7 |
| rtecs : | EM9630050 for 25312-34-9 |
| chemidplus : | 25312-34-9 |
| epa-srs : | 25312-34-9 |
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| chemidplus : | 025312349 |
| epa-srs : | 25312-34-9 |
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| other : | |
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| references : | |
| pubchem : | 25312-34-9 |
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| pubchem : | 204809 |
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| reference : | Mosciano, Gerard P&F 18, No. 1, 43, (1993)³ |