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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate |
| InChI : | InChI=1/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3 |
| InChIKey : | JUWUWIGZUVEFQB-UHFFFAOYAI |
| SMILES : | CC(=O)OC1C(C2CCC1(C2)C)(C)C |
| (EINECS) number : | 237-588-5 |
| cas number : | 13851-11-1 |
| fema number : | 3390 |
| coe number : | 11769 |
| jecfa number : | 1399 |
| fl. number : | 09.269 |
| molar refractivity : | 55.34 ± 0.4 cm3 |
| parachor : | 465.6 ± 6.0 cm3 |
| index of refraction : | 1.480 ± 0.03 |
| surface tension : | 32.6 ± 5.0 dyne/cm |
| density : | 1.00 ± 0.1 g/cm3 |
| polarizability : | 21.94 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| IUPAC name : | [(1S,4R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate |
| InChI : | InChI=1/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9-,10?,12+/m1/s1 |
| InChIKey : | JUWUWIGZUVEFQB-VULFSTHEBQ |
| SMILES : | CC(=O)OC1C([C@@H]2CC[C@]1(C2)C)(C)C |
| cas number : | 13851-11-1 |
| molar refractivity : | 55.34 ± 0.4 cm3 |
| parachor : | 465.6 ± 6.0 cm3 |
| index of refraction : | 1.480 ± 0.03 |
| surface tension : | 32.6 ± 5.0 dyne/cm |
| density : | 1.00 ± 0.1 g/cm3 |
| polarizability : | 21.94 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| IUPAC name : | [(1S,4S)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate |
| InChI : | InChI=1/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9-,10?,12-/m1/s1 |
| InChIKey : | JUWUWIGZUVEFQB-VULFSTHEBQ |
| SMILES : | CC(=O)OC1C([C@@H]2CC[C@]1(C2)C)(C)C |
| cas number : | 13851-11-1 |
| beilstein number : | 1867370 |
| molar refractivity : | 55.34 ± 0.4 cm3 |
| parachor : | 465.6 ± 6.0 cm3 |
| index of refraction : | 1.480 ± 0.03 |
| surface tension : | 32.6 ± 5.0 dyne/cm |
| density : | 1.00 ± 0.1 g/cm3 |
| polarizability : | 21.94 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 196.2860000 |
| formula : | C12 H20 O2 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | fresh pine fir citrus |
| substantivity : | 8 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 : | 0.96500 - 0.97800 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.030 to 8.138
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| refractive index : | 1.45400 - 1.45900 @ 20.00 °C.
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| optical rotation : | +45.00 to +55.00
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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 : | 3.60 |
| 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) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 168.00 °F. TCC ( 75.56 °C. )
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| recommendation for fenchyl acetate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for fenchyl acetate usage levels up to : |
| | 1.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 237-588-5 |
| rtecs : | RB7660000 for 13851-11-1 |
| chemidplus : | 004057312 |
| epa-srs : | 13851-11-1 |
| dtp/nci : | 404295 |
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| chemidplus : | 013851111 |
| epa-srs : | 13851-11-1 |
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| chemidplus : | 13851-11-1 |
| epa-srs : | 13851-11-1 |
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| other : | |
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| references : | |
| pubchem : | 684432 |
| NIST Chemistry WebBook : | 3752708529 |
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| pubchem : | 198082 |
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| pubchem : | 13851-11-1 |
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