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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 pentanoate |
| InChI : | InChI=1/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3 |
| InChIKey : | PFOJEJPZUVQHEH-UHFFFAOYAM |
| SMILES : | CCCCC(=O)OCCC(C)CCC=C(C)C |
| (EINECS) number : | 231-416-2 |
| cas number : | 7540-53-6 |
| fema number : | 2317 |
| coe number : | 469 |
| jecfa number : | 69 |
| fl. number : | 09.151 |
| molar refractivity : | 73.17 ± 0.3 cm3 |
| parachor : | 634.4 ± 4.0 cm3 |
| index of refraction : | 1.447 ± 0.02 |
| surface tension : | 28.9 ± 3.0 dyne/cm |
| density : | 0.879 ± 0.06 g/cm3 |
| polarizability : | 29.00 ± 0.5 10-24cm3 |
| xlogp : | 5.40 |
| molecular weight : | 240.3816200 |
| formula : | C15 H28 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | rose herbal honey |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87200 - 0.88100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.256 to 7.331
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| refractive index : | 1.44200 - 1.45000 @ 20.00 °C.
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| boiling point : | 237.00 - 240.00 °C. @ 760.00 mm Hg
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| boiling point : | 195.00 °C. @ 31.00 mm Hg
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| logp : | 5.87 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 0.61 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for citronellyl valerate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for citronellyl valerate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 231-416-2 |
| chemidplus : | 007540536 |
| epa-srs : | 7540-53-6 |
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| other : | |
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| references : | |
| pubchem : | 197673 |
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