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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | isoquinoline |
| InChI : | InChI=1/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H |
| InChIKey : | AWJUIBRHMBBTKR-UHFFFAOYAX |
| SMILES : | C1=CC=C2C=NC=CC2=C1 |
| (EINECS) number : | 204-341-8 |
| cas number : | 119-65-3 |
| fema number : | 2978 |
| coe number : | 487 |
| jecfa number : | 1303 |
| fl. number : | 14.001 |
| molar refractivity : | 42.18 ± 0.3 cm3 |
| parachor : | 305.2 ± 4.0 cm3 |
| index of refraction : | 1.642 ± 0.02 |
| surface tension : | 46.6 ± 3.0 dyne/cm |
| density : | 1.106 ± 0.06 g/cm3 |
| polarizability : | 16.72 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 129.1585800 |
| formula : | C9 H7 N |
| BioActivity Analysis : | 69893 |
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| fda reg : | 172.515 |
h. number : | 2933.39.9050 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in triacetin. | sweet balsam herbal benzaldehyde anise |
| properties : | |
| appearence : | colorless crystals |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.09900 @ 25.00 °C.
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| refractive index : | 1.62300 @ 20.00 °C.
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| melting point : | 26.00 - 28.00 °C. @ 760.00 mm Hg
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| boiling point : | 242.00 - 243.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.08 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 360.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 590.00 ul/kg
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| flash point ( Deg. F. ) : | 225.00 °F. TCC ( 107.22 °C. )
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| recommendation for isoquinoline usage levels up to : |
| | not for fragrance use.
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| recommendation for isoquinoline usage levels up to : |
| | 1.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-341-8 |
| rtecs : | NW6825000 for 119-65-3 |
| chemidplus : | 000119653 |
| epa-srs : | 119-65-3 |
| dtp/nci : | 3395 |
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| other : | |
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| references : | |
| jecfa number : | 1303 |
| fl. number : | 14.001 |
| pubchem : | 151554 |
| NIST Chemistry WebBook : | 3428210176 |
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