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| IUPAC name : | 2-hydroxy-3-methylcyclopent-2-en-1-one |
| InChI : | InChI=1/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3 |
| InChIKey : | CFAKWWQIUFSQFU-UHFFFAOYAU |
| SMILES : | CC1=C(C(=O)CC1)O |
| (EINECS) number : | 201-303-2 |
| cas number : | 80-71-7 |
| beilstein number : | 2039308 |
| fema number : | 2700 |
| coe number : | 758 |
| jecfa number : | 418 |
| fl. number : | 07.056 |
| molar refractivity : | 29.08 ± 0.3 cm3 |
| parachor : | 243.0 ± 6.0 cm3 |
| index of refraction : | 1.548 ± 0.02 |
| surface tension : | 49.8 ± 3.0 dyne/cm |
| density : | 1.225 ± 0.06 g/cm3 |
| polarizability : | 11.52 ± 0.5 10-24cm3 |
| xlogp : | 0.40 |
| molecular weight : | 112.1265200 |
| formula : | C6 H8 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | caramellic |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | caramel maple syrup |
| properties : | |
| appearence : | colorless to pale yellow solid |
| assay : | 94.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 100.00 - 106.00 °C. @ 760.00 mm Hg
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| boiling point : | 200.00 °C. @ 760.00 mm Hg
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| logp : | 0.30 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
ORL-GPG 1400.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for maple lactone usage levels up to : | | | 0.0500 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 201-303-2 |
| rtecs : | GY7298000 for 80-71-7 |
| chemidplus : | 000080717 |
| epa-srs : | 80-71-7 |
| dtp/nci : | 84226 |
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| other : | |
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| references : | |
| jecfa number : | 418 |
| fl. number : | 07.056 |
| pubchem : | 149636 |
| NIST Chemistry WebBook : | 718912718 |
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| synonyms : |
| | corylone | | | cyclotene hydrate | | 2- | hydroxy-1-methyl cyclopenten-3-one hydrate | | 2- | hydroxy-3-methyl cyclopent-2-en-1-one hydrate | | 2- | hydroxy-3-methyl cyclopent-2-enone hydrate | | 2- | hydroxy-3-methyl-2-cyclopenten-1-one hydrate | | | maple lactone | | 3- | methyl cyclopentan-1,2-dione hydrate | | 3- | methyl cyclopentane-1,2-dione hydrate | | | methyl cyclopentenolone hydrate | | 3- | methyl-2-cyclopentene-2-olone hydrate |
| soluble in : |
| | alcohol | | | water, slightly |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| | acetoin |
| 2- | acetyl furan |
| | acetyl propionyl |
| 2- | acetyl pyrazine |
| 2- | acetyl pyridine |
| 2- | acetyl-2-thiazoline |
| 3- | acetyl-2,5-dimethyl furan |
| 2- | acetyl-3,4,5,6-tetrahydropyridine |
| 2- | acetyl-3,5(or 6)-dimethyl pyrazine |
| | allyl 2-furoate |
| | ambroxan |
| iso | amyl 3-(2-furan) propionate |
| para- | anisyl acetate |
| | beeswax absolute |
| | benzyl disulfide |
| | benzyl salicylate |
| | berry furanone |
| | blood orange oil |
| | butyl levulinate |
| 2-oxo | butyric acid |
| gamma- | butyrolactone |
| | caramel dione |
| | caramel furanone |
| | caramel pentadione |
| | cassia bark oil |
| | coffee furanone |
| | currant bud absolute black |
| | cyclohexyl acetic acid |
| beta- | damascone |
| gamma- | decalactone |
| | diacetyl |
| 2,5- | diethyl tetrahydrofuran |
| alpha,alpha- | dimethyl anisyl acetone |
| 2,3- | dimethyl pyrazine |
| | ethyl (E)-crotonate |
| | ethyl 2-hydroxy-2-methyl butyrate |
| | ethyl 4-pentenoate |
| | ethyl cyclopentenolone |
| | ethyl maltol |
| | ethyl phenyl acetate |
| | ethyl pyruvate |
| (E)- | ethyl tiglate |
| | ethyl vanillin |
| 5- | ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one |
| 5- | ethyl-3,4,5,6-tetramethyl cyclohexen-2-one |
| iso | eugenyl acetate |
| | fenugreek absolute |
| | fenugreek oleoresin |
| | fenugreek resinoid |
| | fir balsam absolute |
| | floral pyranol |
| | furfuryl acetone |
| | furfuryl alcohol |
| | furfuryl octanoate |
| | furfuryl valerate |
| | geranyl crotonate |
| | heliotropin |
| | heliotropyl acetone |
| gamma- | heptalactone |
| 3,4- | hexane dione |
| alpha- | hexyl cinnamaldehyde |
| 5- | hydroxymethyl furfural |
| | immortelle absolute |
| | ionones |
| | levulinic acid |
| | maltol |
| | maltyl propionate |
| | mango furanone |
| | maple furanone |
| | melon heptenal |
| | menthone lactone |
| | mesitene lactone |
| 3- | methyl butyl 2-furyl butyrate |
| | methyl cyclopentenolone |
| | methyl dihydrojasmonate |
| 5- | methyl furfural |
| | methyl octine carbonate |
| | methyl phenyl acetate |
| 4- | methyl-2,6-dimethoxyphenol |
| | mimosa absolute |
| | musks |
| beta- | naphthyl ethyl ether |
| | nerolidol |
| (E,Z)-2,6- | nonadien-1-ol |
| (Z)-6- | nonen-1-al |
| | nutty cyclohexenone |
| | ocean propanal |
| gamma- | octalactone |
| | osmanthus absolute |
| | peanut oxazole |
| 2- | pentanoyl furan |
| 3- | phenyl propyl alcohol |
| 3- | propylidene phthalide |
| | raspberry ketone |
| | rose oxides |
| | rosefuran |
| | santall |
| | shoyu furanone |
| | strawberry furanone |
| | strawberry furanone acetate |
| | tetrahydrofurfuryl acetate |
| | tetrahydrofurfuryl alcohol |
| 2- | thiophene thiol |
| | toffee furanone |
| | tonka bean absolute |
| | tonka bean resinoid |
| 2,4,5- | trimethyl thiazole |
| (E,E)-2,4- | undecadien-1-al |
| 2,4- | undecadien-1-al |
| gamma- | undecalactone |
| iso | valeraldehyde propylene glycol acetal |
| | vanilla oleoresin |
| | vanillin |
| | vanillyl isobutyrate |
| | verymoss |
| | violet leaf absolute |
| (odor and/or flavor) used in : |
| | allspice | | | banana | | | bay rum | | | blackberry | | | butter rum | | | butterscotch | | | candy cotton candy | | | caramel | | | cinnamon | | | coconut | | | coffee | | | cranberry | | | fenugreek | | | fig | | | fir | | | fir balsam | | | gingerbread | | | honeysuckle chevrefeuille | | | mango | | | maple | | | melon | | | mulberry | | | musk | | | nut | | | papaya | | | passion fruit | | | peach | | | pina colada | | | pineapple | | | pomegranate | | | pumpkin | | | sugar brown sugar | | | tobacco tabac tabaco | | | toffee | | | tonka | | | vanilla |
| natural occurrence in : |
| found in nature |
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