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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3,7-dimethyloct-6-enyl propanoate |
| InChI : | InChI=1/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3 |
| InChIKey : | POPNTVRHTZDEBW-UHFFFAOYAE |
| SMILES : | CCC(=O)OCCC(C)CCC=C(C)C |
| (EINECS) number : | 205-461-3 |
| cas number : | 141-14-0 |
| fema number : | 2316 |
| coe number : | 410 |
| jecfa number : | 61 |
| fl. number : | 09.129 |
| molar refractivity : | 63.91 ± 0.3 cm3 |
| parachor : | 554.8 ± 4.0 cm3 |
| index of refraction : | 1.444 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.883 ± 0.06 g/cm3 |
| polarizability : | 25.33 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 212.3284600 |
| formula : | C13 H24 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.50.3000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | floral green waxy fruity rose citrus |
| taste description³ : | at 10.00 ppm.
Floral, green, waxy, rosy and citrus with fruity nuances |
| substantivity : | 20 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.87700 - 0.88500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.298 to 7.364
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| specific gravity : | 0.87800 - 0.88600 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.314 to 7.381
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| refractive index : | 1.43900 - 1.44400 @ 20.00 °C.
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| boiling point : | 120.00 - 124.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.81 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno, 1973a)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 35.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for citronellyl propionate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for citronellyl propionate usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 205-461-3 |
| rtecs : | RH3487500 for 141-14-0 |
| chemidplus : | 000141140 |
| epa-srs : | 141-14-0 |
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| other : | |
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| references : | |
| jecfa number : | 61 |
| fl. number : | 09.129 |
| pubchem : | 151982 |
| NIST Chemistry WebBook : | 2912939478 |
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| reference : | Mosciano, Gerard P&F 22, No. 6, 41, (1997)³ |