1-(Cyclopropylmethyl)-2-methoxybenzene
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Identifiers
Molecular formula
C11H14OSMILES
COC1=CC=CC=C1CC2CC2
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Odor profile
Fragrance Spicy 51.4% Herbal 39.5% Anisic 36.9% Sweet 34.53% Earthy 32.38% Floral 31.5% Woody 31.19% Animal 30.83% Balsamic 29.39% Phenolic 27.81% Flavor Sweet 47.08% Balsam 38.05% Fruity 36.49% Earthy 36.08% Green 32.94% Rose 30.58% Herbal 28.92% Musty 28.75% Spicy 28.02% Spice 26.94% Odor impact est.
High -
Properties
XLogP3-AA
3.8pKa est.
7.59 (neutral)Molecular weight
162.23 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Moderately slowBoiling point est.
245°CFlash point
- 74.17 ˚C est.
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Synonyms
- SCHEMBL23886286
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Applications
1-(Cyclopropylmethyl)-2-methoxybenzene is typically considered an organic synthesis intermediate and may find applications across several industries: as a building block for fragrance ingredients and cosmetic formulations; as a precursor in pharmaceutical synthesis; as an intermediate for the development of agrochemicals; evaluated for use in research and development of specialty aryl compounds for industrial materials; and as a building block in synthetic routes to produce more complex aromatic compounds.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1042.2 methanol 739.77 isopropanol 572.44 water 0.23 ethyl acetate 901.4 n-propanol 715.74 acetone 933.82 n-butanol 644.21 acetonitrile 1007.32 DMF 562.73 toluene 688.14 isobutanol 447.11 1,4-dioxane 1525.02 methyl acetate 818.98 THF 1507.99 2-butanone 801.21 n-pentanol 460.95 sec-butanol 478.08 n-hexane 95.27 ethylene glycol 145.55 NMP 400.43 cyclohexane 251.57 DMSO 766.66 n-butyl acetate 907.79 n-octanol 242.35 chloroform 3695.39 n-propyl acetate 671.94 acetic acid 695.5 dichloromethane 4668.36 cyclohexanone 1148.9 propylene glycol 179.84 isopropyl acetate 454.67 DMAc 391.08 2-ethoxyethanol 605.75 isopentanol 432.68 n-heptane 133.15 ethyl formate 714.35 1,2-dichloroethane 2066.55 n-hexanol 545.99 2-methoxyethanol 770.82 isobutyl acetate 374.84 tetrachloromethane 476.84 n-pentyl acetate 357.97 transcutol 1558.24 n-heptanol 208.64 ethylbenzene 320.76 MIBK 344.1 2-propoxyethanol 731.3 tert-butanol 502.72 MTBE 503.23 2-butoxyethanol 361.96 propionic acid 504.98 o-xylene 284.15 formic acid 137.07 diethyl ether 831.05 m-xylene 317.64 p-xylene 346.56 chlorobenzene 892.58 dimethyl carbonate 227.7 n-octane 50.91 formamide 286.4 cyclopentanone 1052.92 2-pentanone 654.6 anisole 567.17 cyclopentyl methyl ether 595.17 gamma-butyrolactone 1138.87 1-methoxy-2-propanol 493.58 pyridine 1733.95 3-pentanone 465.05 furfural 943.55 n-dodecane 42.68 diethylene glycol 440.69 diisopropyl ether 196.85 tert-amyl alcohol 399.91 acetylacetone 622.73 n-hexadecane 48.51 acetophenone 462.41 methyl propionate 507.76 isopentyl acetate 634.88 trichloroethylene 3197.83 n-nonanol 208.14 cyclohexanol 516.32 benzyl alcohol 450.14 2-ethylhexanol 334.13 isooctanol 178.06 dipropyl ether 525.49 1,2-dichlorobenzene 675.93 ethyl lactate 224.57 propylene carbonate 708.15 n-methylformamide 445.42 2-pentanol 345.66 n-pentane 105.58 1-propoxy-2-propanol 499.47 1-methoxy-2-propyl acetate 528.63 2-(2-methoxypropoxy) propanol 313.57 mesitylene 183.67 ε-caprolactone 869.68 p-cymene 207.68 epichlorohydrin 1684.38 1,1,1-trichloroethane 1469.7 2-aminoethanol 288.69 morpholine-4-carbaldehyde 662.74 sulfolane 794.54 2,2,4-trimethylpentane 47.48 2-methyltetrahydrofuran 1030.08 n-hexyl acetate 448.54 isooctane 48.89 2-(2-butoxyethoxy)ethanol 468.08 sec-butyl acetate 348.59 tert-butyl acetate 375.47 decalin 88.97 glycerin 194.35 diglyme 975.72 acrylic acid 389.74 isopropyl myristate 195.56 n-butyric acid 777.34 acetyl acetate 507.27 di(2-ethylhexyl) phthalate 164.97 ethyl propionate 462.12 nitromethane 960.67 1,2-diethoxyethane 773.94 benzonitrile 728.49 trioctyl phosphate 120.9 1-bromopropane 1214.7 gamma-valerolactone 1056.82 n-decanol 160.22 triethyl phosphate 190.59 4-methyl-2-pentanol 181.43 propionitrile 799.46 vinylene carbonate 706.27 1,1,2-trichlorotrifluoroethane 694.38 DMS 351.0 cumene 183.07 2-octanol 146.13 2-hexanone 533.37 octyl acetate 237.21 limonene 281.28 1,2-dimethoxyethane 1076.78 ethyl orthosilicate 187.03 tributyl phosphate 162.08 diacetone alcohol 342.66 N,N-dimethylaniline 276.34 acrylonitrile 888.84 aniline 537.38 1,3-propanediol 463.57 bromobenzene 1071.77 dibromomethane 3005.32 1,1,2,2-tetrachloroethane 1939.08 2-methyl-cyclohexyl acetate 323.98 tetrabutyl urea 196.19 diisobutyl methanol 198.69 2-phenylethanol 427.2 styrene 469.98 dioctyl adipate 271.16 dimethyl sulfate 242.75 ethyl butyrate 587.76 methyl lactate 197.64 butyl lactate 222.02 diethyl carbonate 395.13 propanediol butyl ether 282.71 triethyl orthoformate 323.82 p-tert-butyltoluene 182.06 methyl 4-tert-butylbenzoate 296.92 morpholine 1398.7 tert-butylamine 349.59 n-dodecanol 132.33 dimethoxymethane 618.69 ethylene carbonate 638.93 cyrene 273.29 2-ethoxyethyl acetate 484.71 2-ethylhexyl acetate 498.48 1,2,4-trichlorobenzene 652.61 4-methylpyridine 1161.91 dibutyl ether 397.73 2,6-dimethyl-4-heptanol 198.69 DEF 528.23 dimethyl isosorbide 503.27 tetrachloroethylene 1347.33 eugenol 287.72 triacetin 374.05 span 80 268.78 1,4-butanediol 217.85 1,1-dichloroethane 1803.5 2-methyl-1-pentanol 354.62 methyl formate 397.73 2-methyl-1-butanol 390.09 n-decane 68.49 butyronitrile 958.04 3,7-dimethyl-1-octanol 238.6 1-chlorooctane 237.32 1-chlorotetradecane 103.72 n-nonane 71.34 undecane 51.94 tert-butylcyclohexane 74.42 cyclooctane 83.62 cyclopentanol 479.88 tetrahydropyran 1426.43 tert-amyl methyl ether 300.67 2,5,8-trioxanonane 580.43 1-hexene 337.21 2-isopropoxyethanol 408.12 2,2,2-trifluoroethanol 178.58 methyl butyrate 657.2 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
|
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
|
No restriction |
|
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
|
No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
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
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |