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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3,7-dimethylocta-1,6-dien-3-yl formate |
| InChI : | InChI=1/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3 |
| InChIKey : | JZOCDHMHLGUPFI-UHFFFAOYAR |
| SMILES : | CC(=CCCC(C)(C=C)OC=O)C |
| (EINECS) number : | 204-120-6 |
| cas number : | 115-99-1 |
| fema number : | 2642 |
| coe number : | 347 |
| jecfa number : | 358 |
| fl. number : | 09.080 |
| molar refractivity : | 54.53 ± 0.3 cm3 |
| parachor : | 495.8 ± 4.0 cm3 |
| index of refraction : | 1.451 ± 0.02 |
| surface tension : | 28.0 ± 3.0 dyne/cm |
| density : | 0.900 ± 0.06 g/cm3 |
| polarizability : | 21.61 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 182.2594200 |
| formula : | C11 H18 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.13.0000 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | citrus green herbal bergamot fruity rose |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.91500 - 0.92400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.614 to 7.689
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| refractive index : | 1.45500 - 1.45800 @ 20.00 °C.
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| boiling point : | 100.00 - 103.00 °C. @ 10.00 mm Hg
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| boiling point : | 202.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.86 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 186.00 °F. TCC ( 85.56 °C. )
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| recommendation for linalyl formate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for linalyl formate usage levels up to : |
| | 15.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-120-6 |
| rtecs : | RG5925600 for 115-99-1 |
| chemidplus : | 000115991 |
| epa-srs : | 115-99-1 |
| dtp/nci : | 46116 |
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| other : | |
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| references : | |
| pubchem : | 197276 |
| NIST Chemistry WebBook : | 3570223057 |
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