| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | heptyl octanoate |
| InChI : | InChI=1/C15H30O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h3-14H2,1-2H3 |
| InChIKey : | TZXWLJYLYILFGM-UHFFFAOYAJ |
| SMILES : | CCCCCCCC(=O)OCCCCCCC |
| (EINECS) number : | 224-252-8 |
| cas number : | 4265-97-8 |
| fema number : | 2553 |
| coe number : | 399 |
| jecfa number : | 176 |
| fl. number : | 09.118 |
| molar refractivity : | 73.31 ± 0.3 cm3 |
| parachor : | 653.6 ± 4.0 cm3 |
| index of refraction : | 1.437 ± 0.02 |
| surface tension : | 29.8 ± 3.0 dyne/cm |
| density : | 0.866 ± 0.06 g/cm3 |
| polarizability : | 29.06 ± 0.5 10-24cm3 |
| xlogp : | 6.40 |
| molecular weight : | 242.3975000 |
| formula : | C15 H30 O2 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | waxy |
| odor strength : | medium |
odor description :
at 100.00 %. | waxy oily green fresh |
| taste description³ : | at 50.00 ppm.
Waxy, fatty with a tropical fruity nuance |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85200 @ 30.00 °C.
|
| refractive index : | 1.43400 @ 20.00 °C.
|
| melting point : | -10.00 °C. @ 760.00 mm Hg
|
| boiling point : | 160.00 °C. @ 14.00 mm Hg
|
| boiling point : | 291.00 °C. @ 760.00 mm Hg
|
| logp : | 6.27 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| Maximised Survey-derived Daily Intakes (MSDI) : | 0.71 (μg/capita/day) |
| | |
| flash point ( Deg. F. ) : | 266.00 °F. TCC ( 130.00 °C. )
|
| | |
| recommendation for heptyl octanoate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
|
| | |
| recommendation for heptyl octanoate usage levels up to : |
| | 50.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 224-252-8 |
| chemidplus : | 004265978 |
| epa-srs : | 4265-97-8 |
| dtp/nci : | 23958 |
| | |
| other : | |
| |
|
| references : | |
| jecfa number : | 176 |
| fl. number : | 09.118 |
| pubchem : | 197610 |
| NIST Chemistry WebBook : | 1076849241 |
| | |
| reference : | Mosciano, Gerard P&F 15, No. 6, 35, (1990)³ |