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| IUPAC name : | heptyl formate |
| InChI : | InChI=1/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3 |
| InChIKey : | XEAMDSXSXYAICO-UHFFFAOYAL |
| SMILES : | CCCCCCCOC=O |
| (EINECS) number : | 203-949-0 |
| cas number : | 112-23-2 |
| beilstein number : | 1750248 |
| fema number : | 2552 |
| coe number : | 341 |
| jecfa number : | 121 |
| fl. number : | 09.074 |
| molar refractivity : | 41.04 ± 0.3 cm3 |
| parachor : | 378.9 ± 4.0 cm3 |
| index of refraction : | 1.413 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.877 ± 0.06 g/cm3 |
| polarizability : | 16.27 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.13.0000 |
| organoleptics : | |
| odor type : | green |
| odor strength : | medium |
odor description :
at 100.00 %. | green waxy floral herbal plum apple |
| taste description³ : | at 5.00 - 10.00 ppm.
Fatty, waxy, oily, slight floral with a vegetative nuance. It has a slight oenanthate under note |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87500 - 0.89100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.281 to 7.414
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| refractive index : | 1.40700 - 1.43800 @ 20.00 °C.
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| boiling point : | 177.00 - 178.00 °C. @ 760.00 mm Hg
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| boiling point : | 76.00 - 77.00 °C. @ 25.00 mm Hg
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| logp : | 2.96 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 0.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 140.00 °F. TCC ( 60.00 °C. )
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| recommendation for heptyl formate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for heptyl formate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-949-0 |
| rtecs : | LQ8582000 for 112-23-2 |
| chemidplus : | 000112232 |
| epa-srs : | 112-23-2 |
| dtp/nci : | 7877 |
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| other : | |
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| references : | |
| jecfa number : | 121 |
| fl. number : | 09.074 |
| pubchem : | 151297 |
| NIST Chemistry WebBook : | 2783030223 |
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| reference : | Mosciano, Gerard P&F 26, No. 2, 40, (2001)³ |