2-Methyl-2-[(1,2,4-trimethyl-2-penten-1-yl)oxy]propyl cyclopropanecarboxylate
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Identifiers
Molecular formula
C16H28O3SMILES
CC(C)C=C(C)C(C)OC(C)(C)COC(=O)C1CC1
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Odor profile
Fragrance Floral 56.89% Woody 52.47% Herbal 39.71% Mint 33.58% Dry 30.53% Rose 30.04% Musk 26.67% Fresh 26.64% Amber 26.45% Sweet 25.36% Flavor Green 47.0% Fruity 44.57% Herbal 40.22% Tropical 34.62% Woody 26.84% Sweet 25.91% Berry 25.86% Floral 25.76% Bergamot 25.24% Bitter 24.37% Odor impact est.
Medium -
Properties
XLogP3-AA
3.7pKa est.
8.13 (weak base)Molecular weight
268.39 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
291°CFlash point
- 114.17 ˚C est.
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Synonyms
- 2-Methyl-2-[(1,2,4-trimethyl-2-penten-1-yl)oxy]propyl cyclopropanecarboxylate
- 2-Methyl-2-((1,2,4-trimethyl-2-penten-1-yl)oxy)propyl cyclopropanecarboxylate
- SCHEMBL692443
- DTXSID50889201
- ZYIJXTQXQNXPSH-UHFFFAOYSA-N
- NS00003123
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Applications
2-Methyl-2-[(1,2,4-trimethyl-2-penten-1-yl)oxy]propyl cyclopropanecarboxylate is typically used in perfumery as a fragrance ingredient and fixative, providing durable aroma profiles; it is also evaluated for cosmetics and personal care formulations as a fragrance component; in household products such as cleaners and air fresheners, it contributes a characteristic scent; and in industrial manufacturing it can serve as an intermediate for the synthesis of fragrance-related specialty chemicals.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1115.83 methanol 859.23 isopropanol 982.23 water 0.46 ethyl acetate 1275.14 n-propanol 941.95 acetone 1002.25 n-butanol 1000.52 acetonitrile 666.62 DMF 760.74 toluene 725.62 isobutanol 833.67 1,4-dioxane 1410.56 methyl acetate 888.61 THF 1794.5 2-butanone 1002.65 n-pentanol 833.64 sec-butanol 1059.86 n-hexane 268.43 ethylene glycol 104.38 NMP 679.2 cyclohexane 354.16 DMSO 572.01 n-butyl acetate 1055.61 n-octanol 428.0 chloroform 2556.72 n-propyl acetate 876.64 acetic acid 902.39 dichloromethane 2002.27 cyclohexanone 1301.72 propylene glycol 199.46 isopropyl acetate 1065.84 DMAc 1124.77 2-ethoxyethanol 1005.29 isopentanol 1018.5 n-heptane 111.03 ethyl formate 560.75 1,2-dichloroethane 1237.18 n-hexanol 813.81 2-methoxyethanol 1074.81 isobutyl acetate 722.23 tetrachloromethane 466.19 n-pentyl acetate 730.7 transcutol 2179.43 n-heptanol 404.46 ethylbenzene 516.3 MIBK 792.27 2-propoxyethanol 1130.95 tert-butanol 1180.09 MTBE 1887.26 2-butoxyethanol 702.24 propionic acid 509.34 o-xylene 491.06 formic acid 213.96 diethyl ether 1515.13 m-xylene 516.21 p-xylene 679.54 chlorobenzene 694.23 dimethyl carbonate 279.31 n-octane 57.95 formamide 242.61 cyclopentanone 957.05 2-pentanone 1081.63 anisole 755.81 cyclopentyl methyl ether 1076.09 gamma-butyrolactone 932.74 1-methoxy-2-propanol 913.54 pyridine 882.18 3-pentanone 799.8 furfural 756.23 n-dodecane 42.24 diethylene glycol 629.56 diisopropyl ether 591.64 tert-amyl alcohol 1220.86 acetylacetone 942.83 n-hexadecane 49.11 acetophenone 662.22 methyl propionate 721.7 isopentyl acetate 1083.28 trichloroethylene 1982.23 n-nonanol 382.93 cyclohexanol 963.71 benzyl alcohol 544.62 2-ethylhexanol 533.04 isooctanol 352.5 dipropyl ether 577.89 1,2-dichlorobenzene 649.68 ethyl lactate 320.58 propylene carbonate 666.29 n-methylformamide 363.34 2-pentanol 861.35 n-pentane 217.04 1-propoxy-2-propanol 765.3 1-methoxy-2-propyl acetate 848.06 2-(2-methoxypropoxy) propanol 564.49 mesitylene 332.85 ε-caprolactone 1227.6 p-cymene 279.66 epichlorohydrin 1477.33 1,1,1-trichloroethane 1433.0 2-aminoethanol 303.81 morpholine-4-carbaldehyde 1037.4 sulfolane 755.54 2,2,4-trimethylpentane 146.39 2-methyltetrahydrofuran 1634.17 n-hexyl acetate 967.45 isooctane 107.38 2-(2-butoxyethoxy)ethanol 798.68 sec-butyl acetate 818.34 tert-butyl acetate 956.51 decalin 198.39 glycerin 240.63 diglyme 1402.25 acrylic acid 353.75 isopropyl myristate 310.3 n-butyric acid 939.98 acetyl acetate 733.3 di(2-ethylhexyl) phthalate 273.77 ethyl propionate 772.45 nitromethane 846.41 1,2-diethoxyethane 1070.26 benzonitrile 578.75 trioctyl phosphate 205.68 1-bromopropane 1066.44 gamma-valerolactone 1266.23 n-decanol 259.03 triethyl phosphate 285.23 4-methyl-2-pentanol 554.73 propionitrile 610.32 vinylene carbonate 573.38 1,1,2-trichlorotrifluoroethane 842.13 DMS 607.65 cumene 375.3 2-octanol 328.23 2-hexanone 847.14 octyl acetate 401.24 limonene 402.73 1,2-dimethoxyethane 1515.52 ethyl orthosilicate 310.59 tributyl phosphate 255.94 diacetone alcohol 748.31 N,N-dimethylaniline 536.45 acrylonitrile 535.72 aniline 514.57 1,3-propanediol 562.44 bromobenzene 808.05 dibromomethane 1482.47 1,1,2,2-tetrachloroethane 1732.98 2-methyl-cyclohexyl acetate 542.75 tetrabutyl urea 287.39 diisobutyl methanol 290.19 2-phenylethanol 582.5 styrene 545.47 dioctyl adipate 382.23 dimethyl sulfate 312.6 ethyl butyrate 669.75 methyl lactate 275.29 butyl lactate 427.5 diethyl carbonate 430.59 propanediol butyl ether 517.29 triethyl orthoformate 462.16 p-tert-butyltoluene 256.32 methyl 4-tert-butylbenzoate 489.05 morpholine 1610.4 tert-butylamine 813.08 n-dodecanol 187.12 dimethoxymethane 863.62 ethylene carbonate 577.31 cyrene 433.9 2-ethoxyethyl acetate 884.3 2-ethylhexyl acetate 874.51 1,2,4-trichlorobenzene 742.1 4-methylpyridine 1131.4 dibutyl ether 598.97 2,6-dimethyl-4-heptanol 290.19 DEF 958.07 dimethyl isosorbide 750.78 tetrachloroethylene 1116.26 eugenol 433.45 triacetin 656.0 span 80 456.3 1,4-butanediol 311.45 1,1-dichloroethane 1520.33 2-methyl-1-pentanol 885.42 methyl formate 298.35 2-methyl-1-butanol 957.1 n-decane 81.69 butyronitrile 834.64 3,7-dimethyl-1-octanol 444.5 1-chlorooctane 326.61 1-chlorotetradecane 118.68 n-nonane 79.13 undecane 54.54 tert-butylcyclohexane 178.67 cyclooctane 122.42 cyclopentanol 675.45 tetrahydropyran 1728.77 tert-amyl methyl ether 1257.46 2,5,8-trioxanonane 811.91 1-hexene 685.25 2-isopropoxyethanol 870.46 2,2,2-trifluoroethanol 261.2 methyl butyrate 973.77 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 |