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| IUPAC name : | heptyl propanoate |
| InChI : | InChI=1/C10H20O2/c1-3-5-6-7-8-9-12-10(11)4-2/h3-9H2,1-2H3 |
| InChIKey : | BGYICJVBGZQOCY-UHFFFAOYAK |
| SMILES : | CCCCCCCOC(=O)CC |
| cas number : | 2216-81-1 |
| (EINECS) number : | 218-698-2 |
| molar refractivity : | 50.15 ± 0.3 cm3 |
| parachor : | 454.7 ± 4.0 cm3 |
| index of refraction : | 1.422 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.874 ± 0.06 g/cm3 |
| polarizability : | 19.88 ± 0.5 10-24cm3 |
| XlogP : | 3.60 |
| molecular weight : | 172.2646000 (IUPAC) |
| formula : | C10 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.50.3000 |
| fda reg : | unspecified |
Suppliers :
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| Vigon : | Heptyl Propionate
Odor: ETHEREAL-WINEY, BITTER |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | rose apricot |
properties :
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| appearence : | colorless clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88500 @ 20.00 °C.
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| boiling point : | 209.00 to 210.00 °C. @ 760.00 mm Hg
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| boiling point : | 210.00 °C. @ 760.00 mm Hg
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| flash point : | 175.00 °F. TCC ( 79.44 °C. )
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| logP (o/w) : | 3.81 |
safety :
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for heptyl propionate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | heptyl propanoate
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| (EINECS) number : | 218-698-2 |
| chemidplus : | 002216811 |
| EPA Substance Registry Services : | 2216-81-1 |
references :
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| | heptyl propanoate
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| NIST Chemistry WebBook : | 3926859542 |
| pubchem : | 159897 |
other :
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