| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 3,7-dimethylocta-1,6-dien-3-yl propanoate |
| InChI : | InChI=1/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3 |
| InChIKey : | WAQIIHCCEMGYKP-UHFFFAOYAZ |
| SMILES : | CCC(=O)OC(C)(CCC=C(C)C)C=C |
| (EINECS) number : | 205-627-5 |
| cas number : | 144-39-8 |
| fema number : | 2645 |
| coe number : | 411 |
| jecfa number : | 360 |
| fl. number : | 09.130 |
| molar refractivity : | 63.64 ± 0.3 cm3 |
| parachor : | 541.5 ± 4.0 cm3 |
| index of refraction : | 1.453 ± 0.02 |
| surface tension : | 28.1 ± 3.0 dyne/cm |
| density : | 0.894 ± 0.06 g/cm3 |
| polarizability : | 25.22 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 210.3125800 |
| formula : | C13 H22 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2915.50.3000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | fresh bergamot lily woody rose rum |
| substantivity : | 12 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
|
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.89600 - 0.90400 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.456 to 7.522
|
| refractive index : | 1.45200 - 1.45500 @ 20.00 °C.
|
| boiling point : | 115.00 °C. @ 10.00 mm Hg
|
| boiling point : | 226.00 °C. @ 760.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| logp : | 4.37 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
|
| | |
| flash point ( Deg. F. ) : | 207.00 °F. TCC ( 97.22 °C. )
|
| | |
| recommendation for linalyl propionate usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
|
| | |
| recommendation for linalyl propionate usage levels up to : |
| | 15.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 205-627-5 |
| rtecs : | RG5927903 for 144-39-8 |
| chemidplus : | 000144398 |
| epa-srs : | 144-39-8 |
| dtp/nci : | 46139 |
| | |
| other : | |
| |
|
| references : | |
| jecfa number : | 360 |
| fl. number : | 09.130 |
| pubchem : | 197338 |
| NIST Chemistry WebBook : | 2123001199 |
| | |