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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3,4,5,6,7,8-hexahydrochromen-2-one |
| InChI : | InChI=1/C9H12O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H2 |
| InChIKey : | ODFRBYOJLDRSKF-UHFFFAOYAG |
| SMILES : | C1CCC2=C(C1)CCC(=O)O2 |
| cas number : | 700-82-3 |
| (EINECS) number : | 211-851-4 |
| molar refractivity : | 40.94 ± 0.4 cm3 |
| parachor : | 337.0 ± 6.0 cm3 |
| index of refraction : | 1.512 ± 0.03 |
| surface tension : | 37.2 ± 5.0 dyne/cm |
| density : | 1.11 ± 0.1 g/cm3 |
| polarizability : | 16.23 ± 0.5 10-24cm3 |
| XlogP : | 0.90 |
| molecular weight : | 152.1903800 |
| formula : | C9 H12 O2 |
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| export tariff code : | 2932.29.6000 |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium |
odor description : at 100.00 %. | coconut tonka |
properties :
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| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 294.00 to 295.00 °C. @ 760.00 mm Hg
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| flash point : | 247.00 °F. TCC ( 119.44 °C. )
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| logP (o/w) : | 2.38 |
safety :
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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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| IFRA critical Effect : | Sensitization |
| recommendation for hexahydrocoumarin usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : Hexahydrocoumarin ) |
| Canada Domestic Sub. List : | Yes |
| SCCNFP : | opinion |
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| | 3,4,5,6,7,8-hexahydrochromen-2-one
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| (EINECS) number : | 211-851-4 |
| chemidplus : | 000700823 |
| EPA Substance Registry Services : | 700-82-3 |
references :
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| | 3,4,5,6,7,8-hexahydrochromen-2-one
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| pubchem : | 211873 |
Cosmetics :
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| Cosmetic uses : |
not used anymore
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other :
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| CosIng : | cosmetic data |