| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | pentyl benzoate |
| InChI : | InChI=1/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3 |
| InChIKey : | QKNZNUNCDJZTCH-UHFFFAOYAC |
| SMILES : | CCCCCOC(=O)C1=CC=CC=C1 |
| (EINECS) number : | 218-077-6 |
| cas number : | 2049-96-9 |
| beilstein number : | 2046708 |
| coe number : | 2307 |
| fl. number : | 09.825 |
| molar refractivity : | 56.55 ± 0.3 cm3 |
| parachor : | 471.2 ± 4.0 cm3 |
| index of refraction : | 1.496 ± 0.02 |
| surface tension : | 35.2 ± 3.0 dyne/cm |
| density : | 0.994 ± 0.06 g/cm3 |
| polarizability : | 22.42 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| molecular weight : | 192.2542400 |
| formula : | C12 H16 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | floral green musky amber balsam |
| substantivity : | 96 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98600 - 0.99200 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.205 to 8.254
|
| refractive index : | 1.49200 - 1.49500 @ 20.00 °C.
|
| boiling point : | 268.00 - 269.00 °C. @ 760.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| logp : | 4.32 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 6330.00 mg/kg
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
|
| | |
| flash point ( Deg. F. ) : | 248.00 °F. TCC ( 120.00 °C. )
|
| | |
| limits in the finished product for - "leave on the skin contact" : |
| | 0.5000 % Recommendation.
|
| | |
| limits in the finished product for - "wash off the skin contact" : |
| | 0.5000 % Recommendation.
|
| | |
| limits in the finished product for - "no skin contact" : |
| | 6.0000 % Recommendation.
|
| | |
| recommendation for amyl benzoate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
|
| | |
| recommendation for amyl benzoate usage levels up to : |
| | not for flavor use.
|
| | |
| safety links : | |
| (EINECS) number : | 218-077-6 |
| chemidplus : | 002049969 |
| epa-srs : | 2049-96-9 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 159555 |
| NIST Chemistry WebBook : | 1913599215 |
| | |