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| IUPAC name : | (4-methoxyphenyl)methyl 2-cyclohexylacetate |
| InChI : | InChI=1/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3 |
| InChIKey : | VCYWCSZLXMMLLE-UHFFFAOYAR |
| SMILES : | COC1=CC=C(C=C1)COC(=O)CC2=CC=CC=C2 |
| (EINECS) number : | 203-010-5 |
| cas number : | 102-17-0 |
| beilstein number : | 5045439 |
| fema number : | 3740 |
| coe number : | 233 |
| jecfa number : | 876 |
| fl. number : | 09.706 |
| molar refractivity : | 73.37 ± 0.3 cm3 |
| parachor : | 577.2 ± 4.0 cm3 |
| index of refraction : | 1.559 ± 0.02 |
| surface tension : | 41.8 ± 3.0 dyne/cm |
| density : | 1.129 ± 0.06 g/cm3 |
| polarizability : | 29.08 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 256.2964400 |
| formula : | C16 H16 O3 |
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| fda reg : | 172.515 |
h. number : | 2916.35.1500 |
| organoleptics : | |
| odor type : | anisic |
| odor strength : | medium |
odor description :
at 100.00 %. | anise honey balsam woody |
| substantivity : | 48 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.12200 - 1.13000 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.336 to 9.403
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| refractive index : | 1.55200 - 1.56000 @ 20.00 °C.
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| boiling point : | 370.00 °C. @ 760.00 mm Hg
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| logp : | 3.66 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| 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. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for para-anisyl phenyl acetate usage levels up to : |
| | 7.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 203-010-5 |
| rtecs : | AJ3000000 for 102-17-0 |
| chemidplus : | 000102170 |
| epa-srs : | 102-17-0 |
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| other : | |
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| references : | |
| jecfa number : | 876 |
| fl. number : | 09.706 |
| pubchem : | 150680 |
| NIST Chemistry WebBook : | 2383652548 |
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