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| IUPAC name : | furo[3,2-g]chromen-7-one |
| InChI : | InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H |
| InChIKey : | ZCCUUQDIBDJBTK-UHFFFAOYAE |
| SMILES : | C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 |
| cas number : | 66-97-7 |
| (EINECS) number : | 200-639-7 |
| beilstein number : | 0152784 |
| molar refractivity : | 49.90 ± 0.3 cm3 |
| parachor : | 365.7 ± 6.0 cm3 |
| index of refraction : | 1.667 ± 0.02 |
| surface tension : | 55.5 ± 3.0 dyne/cm |
| density : | 1.389 ± 0.06 g/cm3 |
| polarizability : | 19.78 ± 0.5 10-24cm3 |
| XlogP : | 1.80 |
| molecular weight : | 186.1635400 (IUPAC) |
| formula : | C11 H6 O3 |
| BioActivity Analysis : | 11113270 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.90.4100 |
| fda reg : | unspecified |
Suppliers :
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| Delta Bio : | Psoralen
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organoleptics :
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properties :
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| assay : | 94.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 163.00 to 164.00 °C. @ 760.00 mm Hg
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| boiling point : | 362.00 to 363.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00002 mm/Hg @ 25.00 °C. |
| flash point : | 344.00 °F. TCC ( 173.33 °C. )
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| logP (o/w) : | 1.67 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 22 - Do not breath dust. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for psoralen fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for psoralen flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| ClinicalTrials.gov : | search |
| Daily Med : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
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| WGK Germany : | 3 |
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| | furo[3,2-g]chromen-7-one |
| (EINECS) number : | 200-639-7 |
| RTECS : | LV0944000 for cas# 66-97-7 |
| chemidplus : | 000066977 |
| EPA Substance Registry Services : | 66-97-7 |
references :
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| | furo[3,2-g]chromen-7-one |
| NIST Chemistry WebBook : | 2720901944 |
| pubchem : | 149107 |
Cosmetics :
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| Cosmetic uses : |
not used anymore
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |