| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | butyl butanoate |
| InChI : | InChI=1/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 |
| InChIKey : | XUPYJHCZDLZNFP-UHFFFAOYAI |
| SMILES : | CCCCOC(=O)CCC |
| (EINECS) number : | 203-656-8 |
| eu annex : | 607-031-00-4 |
| cas number : | 109-21-7 |
| beilstein number : | 1747101 |
| fema number : | 2186 |
| coe number : | 268 |
| jecfa number : | 151 |
| fl. number : | 09.042 |
| molar refractivity : | 40.88 ± 0.3 cm3 |
| parachor : | 375.1 ± 4.0 cm3 |
| index of refraction : | 1.412 ± 0.02 |
| surface tension : | 27.3 ± 3.0 dyne/cm |
| density : | 0.878 ± 0.06 g/cm3 |
| polarizability : | 16.20 ± 0.5 10-24cm3 |
| xlogp : | 2.40 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 O2 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fine fruity banana pineapple sweet |
| taste description³ : | at 40.00 ppm.
Sweet, fresh, fruity, slightly fatty |
| substantivity : | 8 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.86700 - 0.87100 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.214 to 7.248
|
| refractive index : | 1.40500 - 1.40700 @ 20.00 °C.
|
| boiling point : | 164.00 - 165.00 °C. @ 760.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| logp : | 2.83 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Oral-Rat 5600.00 mg/kg
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
|
| Maximised Survey-derived Daily Intakes (MSDI) : | 390.00 (μg/capita/day) |
| | |
| flash point ( Deg. F. ) : | 121.00 °F. TCC ( 49.44 °C. )
|
| | |
| recommendation for butyl butyrate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
|
| | |
| recommendation for butyl butyrate usage levels up to : |
| | 1500.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 203-656-8 |
| rtecs : | ES8120000 for 109-21-7 |
| chemidplus : | 000109217 |
| epa-srs : | 109-21-7 |
| dtp/nci : | 8458 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 151097 |
| NIST Chemistry WebBook : | 1949011583 |
| | |
| reference : | Mosciano, Gerard P&F 17, No. 4, 33, (1992)³ |