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| IUPAC name : | 1,3-benzodioxole-5-carbaldehyde |
| InChI : | InChI=1/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2 |
| InChIKey : | SATCULPHIDQDRE-UHFFFAOYAS |
| SMILES : | C1OC2=C(O1)C=C(C=C2)C=O |
| (EINECS) number : | 204-409-7 |
| cas number : | 120-57-0 |
| fema number : | 2911 |
| coe number : | 104 |
| jecfa number : | 896 |
| fl. number : | 05.016 |
| molar refractivity : | 39.16 ± 0.3 cm3 |
| parachor : | 307.6 ± 4.0 cm3 |
| index of refraction : | 1.614 ± 0.02 |
| surface tension : | 56.4 ± 3.0 dyne/cm |
| density : | 1.337 ± 0.06 g/cm3 |
| polarizability : | 15.52 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 150.1314400 |
| formula : | C8 H6 O3 |
| BioActivity Analysis : | 17388773 |
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| fda reg : | 182.60 |
h. number : | 2932.93.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | heliotrope flower sweet powdery coconut vanilla |
| taste description³ : | at 15.00 ppm. Benzaldehyde, cherry, vanilla and spicy |
| substantivity : | 212 Hour(s) |
| properties : | |
| appearence : | white crystalline powder |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| melting point : | 38.50 - 39.00 °C. @ 760.00 mm Hg
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| boiling point : | 263.00 - 265.00 °C. @ 760.00 mm Hg
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| boiling point : | 144.00 - 145.00 °C. @ 15.00 mm Hg
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| logp : | 1.05 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 2700.00 mg/kg TXAPA9 6,378,1964
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg NTIS** OTS0535062
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for heliotropin usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for heliotropin usage levels up to : |
| | 40.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 204-409-7 |
| rtecs : | TO1575000 for 120-57-0 |
| chemidplus : | 000120570 |
| epa-srs : | 120-57-0 |
| dtp/nci : | 26826 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 151589 |
| NIST Chemistry WebBook : | 2588095605 |
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| reference : | Mosciano, Gerard P&F 21, No. 5, 49, (1996)³ |