3-(2-Furanyl)-2-propenal
-
Identifiers
Molecular formula
C7H6O2SMILES
C1=COC(=C1)C=CC=O
-
Odor profile
Fragrance Spicy 90.44% Cinnamon 70.95% Woody 63.1% Sweet 59.48% Herbal 59.28% Fruity 58.87% Nutty 55.83% Green 54.46% Warm 49.07% Almond 45.97% Flavor Woody 38.22% Almond 33.88% Spice 31.7% Cinnamon 31.43% Sweet 26.46% Sulfur 25.66% Cherry 25.03% Fragrant 22.55% Oily 22.39% Furfural 22.39% Odor impact est.
High -
Properties
XLogP3-AA
1.1pKa est.
5.63 (weak acid)Molecular weight
122.12 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
ModerateBoiling point est.
213°CFlash point
- 73.62 ˚C est.
-
Synonyms
- 3-(2-Furanyl)-2-propenal
- Furfuryliden-acetaldehyd
- 3-(2-furyl)-acrolein
- DTXSID2025349
- AKOS025243212
- SB60942
- NCI60_001734
- DB-049425
-
Applications
3-(2-Furanyl)-2-propenal is primarily used as an intermediate in fragrance and flavor chemistry, where its furyl enal structure provides a versatile handle for further transformations to aroma compounds. It may serve as a building block in the synthesis of specialty polymers and resins, enabling functionalized furyl-containing monomers or crosslinking capabilities. It is often evaluated for use in coatings and inks as a reactive component in resin formulations. It can appear as a synthetic intermediate in pharmaceutical and agrochemical research for accessing heteroaromatic compounds. In industrial manufacturing, it may act as a precursor to more complex fine chemicals, subject to regulatory constraints and formulation limits.
gpt-5-nano
-
Solubility @25˚C
Solvent Solubility (g/L) ethanol 489.79 methanol 720.79 isopropanol 302.75 water 7.3 ethyl acetate 546.28 n-propanol 304.73 acetone 909.25 n-butanol 240.91 acetonitrile 973.89 DMF 936.11 toluene 148.34 isobutanol 225.78 1,4-dioxane 777.78 methyl acetate 780.31 THF 827.4 2-butanone 667.18 n-pentanol 167.5 sec-butanol 263.06 n-hexane 20.1 ethylene glycol 214.62 NMP 924.61 cyclohexane 37.92 DMSO 1648.43 n-butyl acetate 200.87 n-octanol 106.25 chloroform 733.94 n-propyl acetate 297.79 acetic acid 541.34 dichloromethane 1178.23 cyclohexanone 519.36 propylene glycol 154.5 isopropyl acetate 243.11 DMAc 1077.09 2-ethoxyethanol 393.58 isopentanol 205.2 n-heptane 24.52 ethyl formate 284.88 1,2-dichloroethane 681.64 n-hexanol 140.45 2-methoxyethanol 659.69 isobutyl acetate 163.05 tetrachloromethane 102.9 n-pentyl acetate 129.15 transcutol 1301.67 n-heptanol 68.62 ethylbenzene 98.36 MIBK 209.11 2-propoxyethanol 310.86 tert-butanol 342.88 MTBE 335.61 2-butoxyethanol 166.17 propionic acid 373.03 o-xylene 128.62 formic acid 236.35 diethyl ether 399.6 m-xylene 105.35 p-xylene 129.6 chlorobenzene 235.52 dimethyl carbonate 276.63 n-octane 12.58 formamide 536.77 cyclopentanone 797.7 2-pentanone 391.74 anisole 324.34 cyclopentyl methyl ether 353.79 gamma-butyrolactone 881.79 1-methoxy-2-propanol 381.26 pyridine 596.23 3-pentanone 355.55 furfural 651.51 n-dodecane 16.06 diethylene glycol 330.5 diisopropyl ether 98.88 tert-amyl alcohol 293.7 acetylacetone 476.84 n-hexadecane 17.78 acetophenone 290.66 methyl propionate 488.72 isopentyl acetate 180.85 trichloroethylene 1048.98 n-nonanol 90.75 cyclohexanol 229.4 benzyl alcohol 203.98 2-ethylhexanol 96.18 isooctanol 65.58 dipropyl ether 140.99 1,2-dichlorobenzene 217.74 ethyl lactate 132.29 propylene carbonate 363.01 n-methylformamide 531.55 2-pentanol 159.33 n-pentane 23.71 1-propoxy-2-propanol 194.64 1-methoxy-2-propyl acetate 227.96 2-(2-methoxypropoxy) propanol 257.74 mesitylene 74.84 ε-caprolactone 426.36 p-cymene 70.8 epichlorohydrin 969.5 1,1,1-trichloroethane 443.1 2-aminoethanol 270.72 morpholine-4-carbaldehyde 825.98 sulfolane 994.5 2,2,4-trimethylpentane 22.51 2-methyltetrahydrofuran 631.15 n-hexyl acetate 213.43 isooctane 15.62 2-(2-butoxyethoxy)ethanol 311.23 sec-butyl acetate 186.83 tert-butyl acetate 237.3 decalin 30.86 glycerin 233.97 diglyme 650.02 acrylic acid 352.74 isopropyl myristate 95.09 n-butyric acid 340.39 acetyl acetate 325.36 di(2-ethylhexyl) phthalate 89.11 ethyl propionate 257.55 nitromethane 1257.16 1,2-diethoxyethane 350.52 benzonitrile 268.4 trioctyl phosphate 63.49 1-bromopropane 313.95 gamma-valerolactone 713.71 n-decanol 70.78 triethyl phosphate 106.86 4-methyl-2-pentanol 92.82 propionitrile 479.51 vinylene carbonate 323.16 1,1,2-trichlorotrifluoroethane 484.78 DMS 284.02 cumene 74.22 2-octanol 58.99 2-hexanone 271.35 octyl acetate 115.51 limonene 98.66 1,2-dimethoxyethane 645.38 ethyl orthosilicate 98.58 tributyl phosphate 85.59 diacetone alcohol 282.25 N,N-dimethylaniline 207.41 acrylonitrile 647.95 aniline 230.66 1,3-propanediol 314.82 bromobenzene 245.3 dibromomethane 592.87 1,1,2,2-tetrachloroethane 619.74 2-methyl-cyclohexyl acetate 139.87 tetrabutyl urea 122.37 diisobutyl methanol 70.77 2-phenylethanol 158.68 styrene 142.26 dioctyl adipate 143.01 dimethyl sulfate 456.79 ethyl butyrate 188.75 methyl lactate 209.06 butyl lactate 109.14 diethyl carbonate 154.11 propanediol butyl ether 191.79 triethyl orthoformate 128.34 p-tert-butyltoluene 65.49 methyl 4-tert-butylbenzoate 197.18 morpholine 796.49 tert-butylamine 200.89 n-dodecanol 57.89 dimethoxymethane 547.46 ethylene carbonate 264.42 cyrene 238.39 2-ethoxyethyl acetate 228.67 2-ethylhexyl acetate 145.98 1,2,4-trichlorobenzene 265.97 4-methylpyridine 444.06 dibutyl ether 149.26 2,6-dimethyl-4-heptanol 70.77 DEF 558.52 dimethyl isosorbide 367.42 tetrachloroethylene 405.65 eugenol 193.64 triacetin 289.54 span 80 173.72 1,4-butanediol 140.83 1,1-dichloroethane 580.28 2-methyl-1-pentanol 160.69 methyl formate 420.8 2-methyl-1-butanol 212.63 n-decane 21.91 butyronitrile 315.26 3,7-dimethyl-1-octanol 112.31 1-chlorooctane 77.52 1-chlorotetradecane 39.45 n-nonane 20.67 undecane 18.43 tert-butylcyclohexane 29.39 cyclooctane 15.43 cyclopentanol 274.53 tetrahydropyran 543.0 tert-amyl methyl ether 248.04 2,5,8-trioxanonane 466.04 1-hexene 79.31 2-isopropoxyethanol 271.84 2,2,2-trifluoroethanol 205.7 methyl butyrate 336.64 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
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 |