| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | butyl 4-oxopentanoate |
| InChI : | InChI=1/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3 |
| InChIKey : | ISBWNEKJSSLXOD-UHFFFAOYAJ |
| SMILES : | CCCCOC(=O)CCC(=O)C |
| (EINECS) number : | 218-143-4 |
| cas number : | 2052-15-5 |
| beilstein number : | 1768453 |
| fema number : | 2207 |
| coe number : | 374 |
| jecfa number : | 608 |
| fl. number : | 09.436 |
| molar refractivity : | 45.54 ± 0.3 cm3 |
| parachor : | 420.0 ± 4.0 cm3 |
| index of refraction : | 1.426 ± 0.02 |
| surface tension : | 31.2 ± 3.0 dyne/cm |
| density : | 0.969 ± 0.06 g/cm3 |
| polarizability : | 18.05 ± 0.5 10-24cm3 |
| xlogp : | 1.20 |
| molecular weight : | 172.2215400 |
| formula : | C9 H16 O3 |
| BioActivity Analysis : | 118765 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | 2915.50.3000 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity herbal waxy caramel |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96700 - 0.97700 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.046 to 8.130
|
| refractive index : | 1.42300 - 1.43300 @ 20.00 °C.
|
| boiling point : | 106.00 - 108.00 °C. @ 5.50 mm Hg
|
| boiling point : | 238.00 °C. @ 760.00 mm Hg
|
| logp : | 1.27 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
|
| Maximised Survey-derived Daily Intakes (MSDI) : | ND (μg/capita/day) |
| | |
| flash point ( Deg. F. ) : | 198.00 °F. TCC ( 92.22 °C. )
|
| | |
| recommendation for butyl levulinate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
|
| | |
| recommendation for butyl levulinate usage levels up to : |
| | 5.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 218-143-4 |
| rtecs : | OI1695000 for 2052-15-5 |
| chemidplus : | 002052155 |
| epa-srs : | 2052-15-5 |
| dtp/nci : | 78451 |
| | |
| other : | |
| |
|
| references : | |
| jecfa number : | 608 |
| fl. number : | 09.436 |
| pubchem : | 159591 |
| NIST Chemistry WebBook : | 1149354336 |
| | |