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| IUPAC name : | (R)-3,6-dimethyl-5,6-dihydro-1-benzofuran-2(4H)-one |
| InChI : | InChI=1/C10H12O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5-6H,3-4H2,1-2H3 |
| InChIKey : | ZRTWVYJNKXXDDT-UHFFFAOYAQ |
| SMILES : | O=C1C(=C2CCC(C=C2O1)C)C |
| cas number : | 75640-26-5 |
| fema number : | 3755 |
| coe number : | 10034 |
| jecfa number : | 1163 |
| XlogP : | 1.80 |
| molecular weight : | 164.2010800 (IUPAC) |
| formula : | C10 H12 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Need This Molecule?: | You can contact the Chemical Sources Association and ask the Sourceress. |
organoleptics :
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| odor strength : | medium |
odor description:
at 100.00 %. | lactonic coumarin sweet coconut |
properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.09000 to 1.09600 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.070 to 9.120
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| refractive index : | 1.54200 to 1.54800 @ 20.00 °C.
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| boiling point : | 264.00 to 266.00 °C. @ 10.00 mm Hg
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| boiling point : | 331.00 to 333.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | 279.00 °F. TCC ( 137.22 °C. )
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| logP (o/w) : | 1.93 |
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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| Category : | flavoring agents |
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| recommendation for dehydromenthofurolactone fragrance usage levels up to : |
| | not for fragrance use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
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(R)-3,6-dimethyl-5,6-dihydro-1-benzofuran-2(4H)-one |
| chemidplus : | 075640265 |
| EPA Substance Registry Services : | 75640-26-5 |
references :
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(R)-3,6-dimethyl-5,6-dihydro-1-benzofuran-2(4H)-one |
| jecfa number : | 1163 |
| pubchem : | 199525 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |