2'-O-Methyllicodione
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Identifiers
Molecular formula
C16H14O5SMILES
COC1=C(C=CC(=C1)O)C(=O)CC(=O)C2=CC=C(C=C2)O
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Odor profile
Fragrance Sweet 56.49% Phenolic 46.26% Vanilla 44.16% Balsamic 40.41% Odorless 35.93% Spicy 33.04% Powdery 29.23% Creamy 28.59% Aromatic 27.91% Bitter 27.57% Flavor Bitter 70.21% Odorless 42.09% Bland 25.71% Mild 24.83% Faint 21.62% Sweet-like 20.77% Lovage 20.56% Ethyl benzoate 20.45% Orange flower 20.45% Very mild 20.37% Odor impact est.
Low -
Properties
XLogP3-AA
2.4pKa est.
9.44 (weak base)Molecular weight
286.28 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
509°CFlash point
- 217.69 ˚C est.
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Synonyms
- 2'-O-Methyllicodione
- Licodione 2'-methyl ether
- 1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
- C02922
- SCHEMBL2935006
- CHEBI:15789
- LMPK12120397
- Q27098233
- 1-(4-Hydroxy-2-methoxy-phenyl)-3-(4-hydroxy-phenyl)-propane-1,3-dione
- 1-(4-hydroxy-2-methoxy-phenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
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Applications
2'-O-Methyllicodione is typically used as an organic synthesis intermediate and building block in the production of fine chemicals, pharmaceuticals, and agrochemicals. In perfumery and flavor research it may be evaluated as an odorant or aroma-modifier, contributing to scent profiles under controlled levels. It can serve as a specialty chemical for polymer/plastics formulations or as a starting material for functional additives in coatings, inks, and adhesives. In cosmetics or personal care contexts, it may be used as a fragrance-related ingredient or sensory modifier under appropriate formulation controls. Its use is typically subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 6.42 methanol 18.8 isopropanol 14.44 water 0.07 ethyl acetate 23.02 n-propanol 12.11 acetone 133.31 n-butanol 7.57 acetonitrile 39.3 DMF 306.73 toluene 0.68 isobutanol 7.35 1,4-dioxane 79.47 methyl acetate 49.48 THF 504.08 2-butanone 58.43 n-pentanol 7.89 sec-butanol 9.93 n-hexane 0.05 ethylene glycol 27.41 NMP 138.4 cyclohexane 0.04 DMSO 1408.11 n-butyl acetate 11.38 n-octanol 4.03 chloroform 3.05 n-propyl acetate 17.37 acetic acid 44.74 dichloromethane 3.35 cyclohexanone 45.84 propylene glycol 50.51 isopropyl acetate 15.06 DMAc 367.54 2-ethoxyethanol 79.21 isopentanol 8.78 n-heptane 0.09 ethyl formate 17.15 1,2-dichloroethane 5.46 n-hexanol 3.48 2-methoxyethanol 163.1 isobutyl acetate 9.08 tetrachloromethane 0.35 n-pentyl acetate 5.41 transcutol 191.18 n-heptanol 3.54 ethylbenzene 0.98 MIBK 19.24 2-propoxyethanol 67.57 tert-butanol 35.84 MTBE 11.22 2-butoxyethanol 20.99 propionic acid 25.01 o-xylene 1.05 formic acid 30.76 diethyl ether 6.14 m-xylene 0.85 p-xylene 1.53 chlorobenzene 1.72 dimethyl carbonate 42.49 n-octane 0.06 formamide 109.45 cyclopentanone 153.91 2-pentanone 27.59 anisole 16.0 cyclopentyl methyl ether 20.99 gamma-butyrolactone 172.92 1-methoxy-2-propanol 125.01 pyridine 15.36 3-pentanone 19.26 furfural 73.63 n-dodecane 0.16 diethylene glycol 90.62 diisopropyl ether 1.84 tert-amyl alcohol 16.6 acetylacetone 81.27 n-hexadecane 0.19 acetophenone 18.82 methyl propionate 38.54 isopentyl acetate 12.21 trichloroethylene 13.38 n-nonanol 4.48 cyclohexanol 6.9 benzyl alcohol 13.1 2-ethylhexanol 3.43 isooctanol 3.65 dipropyl ether 7.61 1,2-dichlorobenzene 3.05 ethyl lactate 26.76 propylene carbonate 38.04 n-methylformamide 95.27 2-pentanol 5.06 n-pentane 0.02 1-propoxy-2-propanol 42.44 1-methoxy-2-propyl acetate 40.03 2-(2-methoxypropoxy) propanol 43.4 mesitylene 0.83 ε-caprolactone 38.08 p-cymene 1.43 epichlorohydrin 144.48 1,1,1-trichloroethane 3.29 2-aminoethanol 35.69 morpholine-4-carbaldehyde 145.24 sulfolane 283.95 2,2,4-trimethylpentane 0.1 2-methyltetrahydrofuran 46.18 n-hexyl acetate 10.24 isooctane 0.08 2-(2-butoxyethoxy)ethanol 50.75 sec-butyl acetate 11.25 tert-butyl acetate 23.54 decalin 0.14 glycerin 110.22 diglyme 107.35 acrylic acid 29.46 isopropyl myristate 5.91 n-butyric acid 18.88 acetyl acetate 19.68 di(2-ethylhexyl) phthalate 7.56 ethyl propionate 20.25 nitromethane 249.14 1,2-diethoxyethane 30.38 benzonitrile 9.79 trioctyl phosphate 5.33 1-bromopropane 1.07 gamma-valerolactone 163.35 n-decanol 3.6 triethyl phosphate 13.59 4-methyl-2-pentanol 4.53 propionitrile 20.81 vinylene carbonate 29.93 1,1,2-trichlorotrifluoroethane 78.19 DMS 23.93 cumene 1.03 2-octanol 2.36 2-hexanone 20.44 octyl acetate 7.08 limonene 1.86 1,2-dimethoxyethane 135.22 ethyl orthosilicate 11.14 tributyl phosphate 7.49 diacetone alcohol 56.54 N,N-dimethylaniline 10.2 acrylonitrile 35.26 aniline 4.91 1,3-propanediol 42.99 bromobenzene 1.19 dibromomethane 1.25 1,1,2,2-tetrachloroethane 13.73 2-methyl-cyclohexyl acetate 13.15 tetrabutyl urea 12.92 diisobutyl methanol 3.85 2-phenylethanol 9.94 styrene 1.24 dioctyl adipate 13.54 dimethyl sulfate 103.57 ethyl butyrate 13.91 methyl lactate 55.57 butyl lactate 12.58 diethyl carbonate 13.28 propanediol butyl ether 24.71 triethyl orthoformate 15.63 p-tert-butyltoluene 1.45 methyl 4-tert-butylbenzoate 21.32 morpholine 104.74 tert-butylamine 5.85 n-dodecanol 2.84 dimethoxymethane 169.83 ethylene carbonate 24.78 cyrene 51.86 2-ethoxyethyl acetate 16.4 2-ethylhexyl acetate 8.09 1,2,4-trichlorobenzene 5.29 4-methylpyridine 12.03 dibutyl ether 6.95 2,6-dimethyl-4-heptanol 3.85 DEF 40.67 dimethyl isosorbide 84.03 tetrachloroethylene 4.37 eugenol 22.8 triacetin 27.43 span 80 21.51 1,4-butanediol 17.8 1,1-dichloroethane 2.74 2-methyl-1-pentanol 7.23 methyl formate 84.96 2-methyl-1-butanol 6.82 n-decane 0.22 butyronitrile 11.0 3,7-dimethyl-1-octanol 4.86 1-chlorooctane 1.32 1-chlorotetradecane 0.74 n-nonane 0.15 undecane 0.19 tert-butylcyclohexane 0.15 cyclooctane 0.03 cyclopentanol 17.81 tetrahydropyran 20.82 tert-amyl methyl ether 9.4 2,5,8-trioxanonane 86.13 1-hexene 0.38 2-isopropoxyethanol 42.23 2,2,2-trifluoroethanol 21.4 methyl butyrate 25.25 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
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No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
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No restriction |
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Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
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No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
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No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
|
Category 6
Products with oral and lip exposure
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No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
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No restriction |