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| IUPAC name : | heptyl benzoate |
| InChI : | InChI=1/C14H20O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3 |
| InChIKey : | UMFTYCUYCNMERS-UHFFFAOYAJ |
| SMILES : | CCCCCCCOC(=O)C1=CC=CC=C1 |
| cas number : | 7155-12-6 |
| (EINECS) number : | 230-511-6 |
| molar refractivity : | 65.82 ± 0.3 cm3 |
| parachor : | 550.8 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 35.0 ± 3.0 dyne/cm |
| density : | 0.973 ± 0.06 g/cm3 |
| polarizability : | 26.09 ± 0.5 10-24cm3 |
| XlogP : | 5.00 |
| molecular weight : | 220.3074000 (IUPAC) |
| formula : | C14 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description: at 100.00 %. | damp green freshly bruised sage leaves metallic |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98000 @ 25.00 °C.
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| refractive index : | 1.49250 @ 25.00 °C.
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| boiling point : | 257.00 °C. @ 760.00 mm Hg
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| flash point : | 262.00 °F. TCC ( 127.78 °C. )
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| logP (o/w) : | 5.38 |
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 benzoate fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for heptyl benzoate flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
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| | heptyl benzoate |
| (EINECS) number : | 230-511-6 |
| chemidplus : | 007155126 |
| EPA Substance Registry Services : | 7155-12-6 |
| dtp/nci : | 53805 |
references :
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| | heptyl benzoate |
| NIST Chemistry WebBook : | 3534687265 |
| pubchem : | 658528 |
other :
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