| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | oct-1-en-3-yl butanoate |
| InChI : | InChI=1/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3 |
| InChIKey : | LZWFXVJBIZIHCH-UHFFFAOYAX |
| SMILES : | CCCCCC(C=C)OC(=O)CCC |
| (EINECS) number : | 240-555-8 |
| cas number : | 16491-54-6 |
| beilstein number : | 1935498 |
| fema number : | 3612 |
| fl. number : | 09.282 |
| molar refractivity : | 59.10 ± 0.3 cm3 |
| parachor : | 520.6 ± 4.0 cm3 |
| index of refraction : | 1.437 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.879 ± 0.06 g/cm3 |
| polarizability : | 23.42 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 198.3018800 |
| formula : | C12 H22 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | mushroom |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | pleasant mushroom butter |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
|
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.86300 - 0.87000 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.181 to 7.239
|
| refractive index : | 1.42400 - 1.43100 @ 20.00 °C.
|
| boiling point : | 225.00 °C. @ 760.00 mm Hg
|
| boiling point : | 80.00 °C. @ 15.00 mm Hg
|
| logp : | 4.53 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Oral-Mouse 3424.00 mg/kg
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 210.00 °F. TCC ( 98.89 °C. )
|
| | |
| recommendation for 1-octen-3-yl butyrate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
|
| | |
| recommendation for 1-octen-3-yl butyrate usage levels up to : |
| | 20.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 240-555-8 |
| rtecs : | ET7030000 for 16491-54-6 |
| chemidplus : | 016491546 |
| epa-srs : | 16491-54-6 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 170428 |
| | |