| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 3,7-dimethylocta-2,6-dienyl benzoate |
| InChI : | InChI=1/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3 |
| InChIKey : | YDVXYTIIPGKIJP-UHFFFAOYAS |
| SMILES : | 94-48-4 |
| (EINECS) number : | 202-337-0 |
| cas number : | 94-48-4 |
| beilstein number : | 3119464 |
| fema number : | 2511 |
| coe number : | 639 |
| jecfa number : | 860 |
| fl. number : | 09.767 |
| molar refractivity : | 79.52 ± 0.3 cm3 |
| parachor : | 636.9 ± 4.0 cm3 |
| index of refraction : | 1.517 ± 0.02 |
| surface tension : | 34.5 ± 3.0 dyne/cm |
| density : | 0.983 ± 0.06 g/cm3 |
| polarizability : | 31.52 ± 0.5 10-24cm3 |
| xlogp : | 5.00 |
| molecular weight : | 258.3553800 |
| formula : | C17 H22 O2 |
|
|
| |
| |
| IUPAC name : | [(2E)-3,7-dimethylocta-2,6-dienyl] benzoate |
| InChI : | InChI=1/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+ |
| InChIKey : | YDVXYTIIPGKIJP-NTCAYCPXBN |
| SMILES : | CC(=CCC/C(=C/COC(=O)C1=CC=CC=C1)/C)C |
| cas number : | 94-48-4 |
| beilstein number : | 3119464 |
| fema number : | 2511 |
| molar refractivity : | 79.52 ± 0.3 cm3 |
| parachor : | 636.9 ± 4.0 cm3 |
| index of refraction : | 1.517 ± 0.02 |
| surface tension : | 34.5 ± 3.0 dyne/cm |
| density : | 0.983 ± 0.06 g/cm3 |
| polarizability : | 31.52 ± 0.5 10-24cm3 |
| xlogp : | 5.00 |
| molecular weight : | 258.3553800 |
| formula : | C17 H22 O2 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet amber ylang rose |
| properties : | |
| appearence : | yellow clear oily liquid |
| assay : | 95.00 - 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.97800 - 0.98400 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.138 to 8.188
|
| refractive index : | 1.51300 - 1.51800 @ 20.00 °C.
|
| boiling point : | 305.00 °C. @ 760.00 mm Hg
|
| boiling point : | 198.00 - 200.00 °C. @ 15.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| logp : | 6.13 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
|
| | |
| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °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" : |
| | 4.0000 % Recommendation.
|
| | |
| recommendation for geranyl benzoate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
|
| | |
| recommendation for geranyl benzoate usage levels up to : |
| | 1.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 202-337-0 |
| rtecs : | RG5925300 for 94-48-4 |
| chemidplus : | 94-48-4 |
| epa-srs : | 94-48-4 |
| | |
| chemidplus : | 000094484 |
| epa-srs : | 94-48-4 |
| | |
| other : | |
| |
|
| references : | |
| jecfa number : | 860 |
| fl. number : | 09.767 |
| pubchem : | 43118291 |
| | |
| pubchem : | 197198 |
| NIST Chemistry WebBook : | 592191142 |
| | |