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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | heptyl acetate |
| InChI : | InChI=1/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3 |
| InChIKey : | ZCZSIDMEHXZRLG-UHFFFAOYAH |
| SMILES : | CCCCCCCOC(=O)C |
| (EINECS) number : | 203-932-8 |
| cas number : | 112-06-1 |
| beilstein number : | 1752297 |
| fema number : | 2547 |
| coe number : | 212 |
| jecfa number : | 129 |
| fl. number : | 09.022 |
| molar refractivity : | 45.51 ± 0.3 cm3 |
| parachor : | 414.9 ± 4.0 cm3 |
| index of refraction : | 1.418 ± 0.02 |
| surface tension : | 27.8 ± 3.0 dyne/cm |
| density : | 0.876 ± 0.06 g/cm3 |
| polarizability : | 18.04 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 O2 |
| BioActivity Analysis : | 70264 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | green |
| odor strength : | medium |
odor description :
at 100.00 %. | fresh green rum ripe fruit pear apricot woody |
| taste description³ : | at 7.50 ppm.
Green, fatty, spicy, citrus, soapy and aldehydic with a floral nuance |
| substantivity : | 6 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86200 - 0.87200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.173 to 7.256
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| refractive index : | 1.40860 - 1.41860 @ 20.00 °C.
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| melting point : | -50.00 °C. @ 760.00 mm Hg
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| boiling point : | 192.00 - 193.00 °C. @ 760.00 mm Hg
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| boiling point : | 46.00 - 47.00 °C. @ 1.00 mm Hg
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| logp : | 3.32 |
| safety : | |
| most important hazard(s) : |
None - None |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 56.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 154.00 °F. TCC ( 67.78 °C. )
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| recommendation for heptyl acetate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for heptyl acetate usage levels up to : |
| | 7.5000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-932-8 |
| rtecs : | AH9901000 for 112-06-1 |
| chemidplus : | 000112061 |
| epa-srs : | 112-06-1 |
| dtp/nci : | 3833 |
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| other : | |
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| references : | |
| pubchem : | 151287 |
| NIST Chemistry WebBook : | 1961845028 |
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| reference : | Mosciano, Gerard P&F 21, No. 5, 49, (1996)³ |