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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate |
| InChI : | InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3 |
| InChIKey : | IGODOXYLBBXFDW-UHFFFAOYAB |
| SMILES : | CC1CCC(C=C1)(C(C)C)OC(=O)C |
| (EINECS) number : | 201-265-7 |
| cas number : | 80-26-2 |
| beilstein number : | 3198769 |
| fema number : | 3047 |
| coe number : | 205 |
| fl. number : | 09.015 |
| molar refractivity : | 57.29 ± 0.4 cm3 |
| parachor : | 486.4 ± 6.0 cm3 |
| index of refraction : | 1.467 ± 0.03 |
| surface tension : | 30.8 ± 5.0 dyne/cm |
| density : | 0.95± 0.1 g/cm3 |
| polarizability : | 22.71 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| InChI : | InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3/t11-,12+ |
| InChIKey : | URVNHQCLMBMWIW-HAQNSBGRBY |
| SMILES : | O=C(O[C@]1(CC[C@@H](\C(=C)C)CC1)C)C |
| (EINECS) number : | 261-828-8 |
| cas number : | 59632-85-8 |
| molar refractivity : | 56.94 ± 0.4 cm3 |
| parachor : | 486.2 ± 6.0 cm3 |
| index of refraction : | 1.460 ± 0.03 |
| surface tension : | 30.0 ± 5.0 dyne/cm |
| density : | 0.94 ± 0.1 g/cm3 |
| polarizability : | 22.57 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| InChI : | InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3/t11-,12- |
| InChIKey : | URVNHQCLMBMWIW-TXEJJXNPBH |
| SMILES : | O=C(O[C@@]1(CC[C@@H](\C(=C)C)CC1)C)C |
| (EINECS) number : | 244-028-3 |
| cas number : | 20777-47-3 |
| molar refractivity : | 56.94 ± 0.4 cm3 |
| parachor : | 486.2 ± 6.0 cm3 |
| index of refraction : | 1.460 ± 0.03 |
| surface tension : | 30.0 ± 5.0 dyne/cm |
| density : | 0.94 ± 0.1 g/cm3 |
| polarizability : | 22.57 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| IUPAC name : | (1-methyl-4-propan-2-ylidenecyclohexyl) acetate |
| InChI : | InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5-8H2,1-4H3 |
| InChIKey : | ZKKBZSOYCMSYRW-UHFFFAOYAH |
| SMILES : | CC(=C1CCC(CC1)(C)OC(=O)C)C |
| (EINECS) number : | 233-564-3 |
| cas number : | 10235-63-9 |
| molar refractivity : | 56.87 ± 0.4 cm3 |
| parachor : | 483.0 ± 6.0 cm3 |
| index of refraction : | 1.467 ± 0.03 |
| surface tension : | 30.8 ± 5.0 dyne/cm |
| density : | 0.95 ± 0.1 g/cm3 |
| polarizability : | 22.54 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | herbal lavender lime citrus |
| taste description³ : | at 12.50 ppm.
Woody, citrus, spicy, floral, grapefruit and seedy |
| substantivity : | 20 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95400 - 0.96200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.938 to 8.005
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| specific gravity : | 0.95500 - 0.96300 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.956 to 8.022
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| refractive index : | 1.46300 - 1.46700 @ 20.00 °C.
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| boiling point : | 220.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.98 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 5075.00 mg/kg FCTXAV 2,327,1964
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 211.00 °F. TCC ( 99.44 °C. )
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| recommendation for (±)-alpha-terpinyl acetate usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for (±)-alpha-terpinyl acetate usage levels up to : |
| | 260.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 201-265-7 |
| rtecs : | OT0200000 for 80-26-2 |
| chemidplus : | 008007350 |
| epa-srs : | 80-26-2 |
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| (EINECS) number : | 261-828-8 |
| chemidplus : | 059632858 |
| epa-srs : | 59632-85-8 |
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| (EINECS) number : | 244-028-3 |
| chemidplus : | 020777473 |
| epa-srs : | 20777-47-3 |
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| (EINECS) number : | 233-564-3 |
| chemidplus : | 010235639 |
| epa-srs : | 10235-63-9 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 688299 |
| NIST Chemistry WebBook : | 2687434629 |
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| pubchem : | 678502 |
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| pubchem : | 665495 |
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| pubchem : | 659404 |
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| reference : | Mosciano, Gerard P&F 22, No. 4, 75, (1997)³ |