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| IUPAC name : | 7-ethoxy-4-methylchromen-2-one |
| InChI : | InChI=1/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3 |
| InChIKey : | NKRISXMDKXBVRJ-UHFFFAOYAE |
| SMILES : | CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| (EINECS) number : | 201-721-5 |
| cas number : | 87-05-8 |
| beilstein number : | 0169998 |
| coe number : | 11870 |
| fl. number : | 13.121 |
| molar refractivity : | 55.78 ± 0.3 cm3 |
| parachor : | 440.6 ± 6.0 cm3 |
| index of refraction : | 1.548 ± 0.02 |
| surface tension : | 39.6 ± 3.0 dyne/cm |
| density : | 1.163 ± 0.06 g/cm3 |
| polarizability : | 22.11 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 204.2218800 |
| formula : | C12 H12 O3 |
| BioActivity Analysis : | 108555 |
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| export tariff code : | 2932.29.6000 |
| fda reg : | unspecified |
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Suppliers :
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| Treatt : | 7-Ethoxy-4-methylcoumarin |
| Treatt USA : | 7-Ethoxy-4-methylcoumarin |
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organoleptics :
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| odor type : | nutty |
| odor strength : | medium ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 100.00 %. | walnut |
properties :
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| appearence : | colorless crystals |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 114.00 - 116.00 °C. @ 760.00 mm Hg
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| boiling point : | 350.00 - 352.00 °C. @ 760.00 mm Hg
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| logp : | 2.90 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 295.00 °F. TCC ( 146.11 °C. )
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| IFRA critical Effect : | Photoallergy |
| recommendation for maraniol usage levels up to : | | | PROHIBITED : Should not be used as a fragrance ingredient.
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safety links :
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| (EINECS) number : | 201-721-5 |
| chemidplus : | 000087058 |
| epa-srs : | 87-05-8 |
| dtp/nci : | 60561 |
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| ifra : | ifra - ( Found under : 4-Methyl-7-ethoxycoumarin (Maraniol) ) |
other :
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references :
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| fl. number : | 13.121 |
| pubchem : | 208681 |
| NIST Chemistry WebBook : | 1487518537 |
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| synonyms : |
| 7- | ethoxy-4-methyl coumarin | | 7- | ethoxy-4-methyl-2H-1-benzopyran-2-one | | | maraniol | | 4- | methyl-7-ethoxycoumarin |
| soluble in : |
| | alcohol |
| (odor and/or flavor) blends with : |
| | acetal |
| | acetyl acetaldehyde dimethyl acetal |
| | acetyl propionyl |
| 2- | acetyl pyrazine |
| 3- | acetyl pyridine |
| 2- | acetyl pyrrole |
| | acetyl pyrroline |
| 2- | acetyl thiazole |
| 2- | acetyl-2-thiazoline |
| 5- | acetyl-2,3-dihydro-1,4-thiazine |
| 3- | acetyl-2,5-dimethyl furan |
| 2- | acetyl-3-ethyl pyrazine |
| 2- | acetyl-3-methyl pyrazine |
| 2- | acetyl-3,5-dimethyl pyrazine |
| 2- | acetyl-5-methyl furan |
| | aconitic acid |
| | allyl 2-ethyl butyrate |
| iso | amyl nonanoate |
| alpha- | angelica lactone |
| | benzothiazole |
| | bornyl isobutyrate |
| | boronia butenal |
| | butyramide |
| | butyroin |
| | butyrophenone |
| | chocolate pyrazine A |
| | chocolate pyrazine B |
| | cocoa pyrazine |
| 3,6- | cocoa pyrazine |
| | coconut absolute |
| | coffee furanone |
| | coumane |
| | coumarin |
| para- | cresyl laurate |
| | cyclohexyl methyl pyrazine |
| (E,E)-2,4- | decadien-1-al |
| 2,5- | diethyl thiazole |
| 3,5- | diethyl-2-methyl pyrazine |
| 2,5- | diethyl-3-methyl pyrazine |
| 2,5- | diethyl-4-methyl thiazole |
| | difurfuryl ether |
| 6,7- | dihydro-2,3-dimethyl-5H-cyclopentapyrazine |
| | dihydroxyacetophenone |
| | dimethyl dihydrocyclopentapyrazine |
| 2,3- | dimethyl pyrazine |
| 2,5- | dimethyl pyrazine |
| 2,6- | dimethyl pyridine |
| 2,5- | dimethyl thiazole |
| 4,5- | dimethyl thiazole |
| 2,5- | dimethyl thiophene |
| 4,5- | dimethyl-2-ethyl-3-thiazoline |
| 2,4- | dimethyl-5-vinyl thiazole |
| 2- | ethoxythiazole |
| | ethyl 2-hydroxy-2-methyl butyrate |
| 2- | ethyl pyrazine |
| 1- | ethyl-2-acetyl pyrrole |
| 5- | ethyl-2-methyl pyridine |
| 2- | ethyl-3-methoxypyrazine |
| 2- | ethyl-4-methyl thiazole |
| (Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline |
| (Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline |
| | filbert heptenone |
| | filbert pyrazine |
| | furfuryl thioacetate |
| 3-(2- | furyl) acrolein |
| | hazelnut oleoresin |
| | hazelnut pyrazine |
| (E,E)-2,4- | heptadien-1-ol |
| gamma- | heptalactone |
| 2- | heptyl furan |
| 2,4- | hexadien-1-ol |
| 3,4- | hexane dione |
| 2- | hexyl-5 or 6-keto-1,4-dioxane |
| 4- | hydroxybenzoic acid |
| | menthofuran |
| 2- | methoxypyrazine |
| | methyl 2-(methyl thio) acetate |
| 2'- | methyl acetophenone |
| 2- | methyl anisole |
| para- | methyl anisole |
| 2- | methyl butyraldehyde |
| 2- | methyl pyrazine |
| 2- | methyl quinoxaline |
| 5- | methyl quinoxaline |
| 4- | methyl thiazole |
| 2- | methyl thio-3,5 or 6-methyl pyrazine |
| 2-( | methyl thio) acetaldehyde |
| | methyl valerate |
| 3- | methyl-2-buten-1-al |
| 2- | methyl-3-(methyl thio) pyrazine |
| 2- | methyl-3-propyl pyrazine |
| 2- | methyl-3,(5 or 6)-ethoxypyrazine |
| 2- | methyl-5-isopropyl pyrazine |
| (E,E)-2,4- | nonadien-1-al |
| (E,Z)-2,6- | nonadien-1-yl acetate |
| | nutty cyclohexenone |
| | nutty quinoxaline |
| | nutty thiazole |
| (Z)-2- | octen-1-al |
| | peanut dithiazine |
| | peanut oxazole |
| 2- | phenyl propionaldehyde dimethyl acetal |
| | popcorn pyrimidine |
| | propionaldehyde |
| 2- | propionyl thiazole |
| 2- | propionyl-2-thiazoline |
| | propyl benzoate |
| iso | propyl pyrazine |
| 2- | propyl pyridine |
| | pyrrole |
| | saffron pyranone |
| | salicylic acid |
| | sandalwood oil |
| | shoyu pyrazine |
| | sulfuryl butyrate |
| | sulfuryl decanoate |
| | sulfuryl formate |
| | sulfuryl hexanoate |
| | sulfuryl isobutyrate |
| | sulfuryl octanoate |
| | sulfuryl propionate |
| 2,3,5,6- | tetramethyl pyrazine |
| | thiazole |
| (E)- | tiglic aldehyde |
| | tobacco butenal |
| | tonka bean absolute |
| | tonka bean resinoid |
| 2,4,5- | trimethyl oxazole |
| 2,3,5- | trimethyl pyrazine |
| | tropical thiazole |
| | valeraldehyde |
| | valeraldehyde dibutyl acetal |
| | valeraldehyde propylene glycol acetal |
| 2- | vinyl pyrazine |
| | vinyl sulfurol |
| | whiskey lactone |
| (odor and/or flavor) used in : |
| | chypre | | | fern fougere | | | nut walnut |
| natural occurrence in : |
| not found in nature |
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