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| IUPAC name : | methyl heptanoate |
| InChI : | InChI=1/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3 |
| InChIKey : | XNCNNDVCAUWAIT-UHFFFAOYAE |
| SMILES : | CCCCCCC(=O)OC |
| (EINECS) number : | 203-428-8 |
| cas number : | 106-73-0 |
| beilstein number : | 1747147 |
| fema number : | 2705 |
| coe number : | 368 |
| jecfa number : | 167 |
| fl. number : | 09.096 |
| molar refractivity : | 40.88 ± 0.3 cm3 |
| parachor : | 375.1 ± 4.0 cm3 |
| index of refraction : | 1.412 ± 0.02 |
| surface tension : | 27.3 ± 3.0 dyne/cm |
| density : | 0.878 ± 0.06 g/cm3 |
| polarizability : | 16.20 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet fruit green orris waxy floral berry |
| taste description³ : | at 35.00 ppm.
Sweet fruity and green |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86000 - 0.88000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.156 to 7.322
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| refractive index : | 1.40900 - 1.42400 @ 20.00 °C.
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| melting point : | -55.00 - -56.00 °C. @ 760.00 mm Hg
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| boiling point : | 172.00 - 173.00 °C. @ 760.00 mm Hg
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| logp : | 2.83 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno et al., 1981)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 5.70 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 127.00 °F. TCC ( 52.78 °C. )
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| recommendation for methyl heptanoate usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| recommendation for methyl heptanoate usage levels up to : |
| | 35.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-428-8 |
| rtecs : | MJ2297500 for 106-73-0 |
| chemidplus : | 000106730 |
| epa-srs : | 106-73-0 |
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| other : | |
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| references : | |
| pubchem : | 150925 |
| NIST Chemistry WebBook : | 1379592567 |
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| reference : | Mosciano, Gerard P&F 15, No. 6, 35, (1990)³ |