| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | (4-propan-2-ylphenyl)methyl acetate |
| InChI : | InChI=1/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3 |
| InChIKey : | QBCRVYRADYXNOW-UHFFFAOYAA |
| SMILES : | CC(C)C1=CC=C(C=C1)COC(=O)C |
| (EINECS) number : | 261-671-5 |
| cas number : | 59230-57-8 |
| beilstein number : | 1950785 |
| fl. number : | 09.611 |
| molar refractivity : | 56.39 ± 0.3 cm3 |
| parachor : | 463.4 ± 4.0 cm3 |
| index of refraction : | 1.498 ± 0.02 |
| surface tension : | 33.7 ± 3.0 dyne/cm |
| density : | 0.999 ± 0.06 g/cm3 |
| polarizability : | 22.35 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 192.2542400 |
| formula : | C12 H16 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | fresh fruity sweet herbal bergamot |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99200 - 1.00000 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.254 to 8.321
|
| specific gravity : | 0.99300 - 1.00100 @ 20.00 °C.
|
| pounds per gallon - calc. : | 8.272 to 8.339
|
| refractive index : | 1.49400 - 1.49900 @ 20.00 °C.
|
| boiling point : | 253.00 - 254.00 °C. @ 760.00 mm Hg
|
| logp : | 3.27 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
| | |
| Oral Toxicity(LD50) : |
Oral-Rat 1450.00 mg/kg
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
|
| | |
| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
|
| | |
| recommendation for cuminyl acetate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
|
| | |
| safety links : | |
| (EINECS) number : | 261-671-5 |
| chemidplus : | 059230578 |
| epa-srs : | 59230-57-8 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 678399 |
| NIST Chemistry WebBook : | 3123640503 |
| | |