2-(Furan-2-yl)-3-phenylprop-2-enal
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Identifiers
Molecular formula
C13H10O2SMILES
C1=CC=C(C=C1)C=C(C=O)C2=CC=CO2
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Odor profile
Fragrance Spicy 80.88% Sweet 71.13% Cinnamon 69.44% Balsamic 60.89% Floral 57.08% Warm 51.92% Herbal 39.39% Powdery 39.08% Honey 38.65% Cherry 36.4% Flavor Bitter 49.86% Balsam 24.16% Chocolate 23.75% Honey 23.55% Cinnamon 21.23% Nitrile 21.17% Butyric 20.09% Valerian 20.06% Genet 20.06% Orange flower 20.02% Odor impact est.
Medium -
Properties
XLogP3-AA
2.5pKa est.
6.18 (neutral)Molecular weight
198.22 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
346°CFlash point
- 144.41 ˚C est.
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Synonyms
- SCHEMBL6709707
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Applications
2-(Furan-2-yl)-3-phenylprop-2-enal is commonly used as an aroma chemical intermediate in perfumery and fragrance development. It serves as a building block for the synthesis of more complex fragrance ingredients and can contribute furanyl aroma characteristics. In flavor chemistry, it may be evaluated as a precursor for aroma-active compounds in specialty flavors. In cosmetics and personal-care formulations, it is used as a fragrance ingredient or intermediate. In industrial manufacturing, it can function as a reactive aldehyde building block for the preparation of fine chemicals and polymer-related intermediates, subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 89.97 methanol 122.37 isopropanol 37.39 water 0.07 ethyl acetate 146.19 n-propanol 60.38 acetone 169.81 n-butanol 45.55 acetonitrile 134.06 DMF 233.19 toluene 117.99 isobutanol 34.3 1,4-dioxane 250.44 methyl acetate 169.85 THF 328.78 2-butanone 194.81 n-pentanol 38.61 sec-butanol 32.83 n-hexane 1.0 ethylene glycol 54.39 NMP 148.03 cyclohexane 3.83 DMSO 366.17 n-butyl acetate 66.88 n-octanol 17.34 chloroform 338.17 n-propyl acetate 74.84 acetic acid 89.59 dichloromethane 443.24 cyclohexanone 170.08 propylene glycol 57.37 isopropyl acetate 71.26 DMAc 307.83 2-ethoxyethanol 101.94 isopentanol 42.65 n-heptane 2.61 ethyl formate 76.85 1,2-dichloroethane 321.72 n-hexanol 37.72 2-methoxyethanol 212.08 isobutyl acetate 54.45 tetrachloromethane 13.15 n-pentyl acetate 34.44 transcutol 589.12 n-heptanol 18.86 ethylbenzene 45.91 MIBK 76.8 2-propoxyethanol 98.14 tert-butanol 43.73 MTBE 51.67 2-butoxyethanol 53.57 propionic acid 67.84 o-xylene 48.18 formic acid 37.29 diethyl ether 75.31 m-xylene 48.97 p-xylene 44.76 chlorobenzene 120.98 dimethyl carbonate 95.88 n-octane 1.22 formamide 102.56 cyclopentanone 239.43 2-pentanone 118.71 anisole 144.4 cyclopentyl methyl ether 97.83 gamma-butyrolactone 248.6 1-methoxy-2-propanol 129.21 pyridine 369.76 3-pentanone 104.26 furfural 257.05 n-dodecane 2.02 diethylene glycol 106.2 diisopropyl ether 19.63 tert-amyl alcohol 36.21 acetylacetone 180.35 n-hexadecane 2.43 acetophenone 116.64 methyl propionate 144.39 isopentyl acetate 69.25 trichloroethylene 584.03 n-nonanol 18.44 cyclohexanol 42.24 benzyl alcohol 95.03 2-ethylhexanol 29.5 isooctanol 19.13 dipropyl ether 41.16 1,2-dichlorobenzene 97.81 ethyl lactate 45.16 propylene carbonate 121.76 n-methylformamide 131.67 2-pentanol 26.14 n-pentane 0.98 1-propoxy-2-propanol 62.04 1-methoxy-2-propyl acetate 99.29 2-(2-methoxypropoxy) propanol 89.67 mesitylene 26.15 ε-caprolactone 129.18 p-cymene 24.87 epichlorohydrin 426.54 1,1,1-trichloroethane 133.13 2-aminoethanol 77.03 morpholine-4-carbaldehyde 206.89 sulfolane 257.82 2,2,4-trimethylpentane 2.62 2-methyltetrahydrofuran 147.59 n-hexyl acetate 51.79 isooctane 2.03 2-(2-butoxyethoxy)ethanol 112.06 sec-butyl acetate 58.23 tert-butyl acetate 77.11 decalin 6.09 glycerin 89.83 diglyme 254.01 acrylic acid 79.37 isopropyl myristate 26.97 n-butyric acid 76.06 acetyl acetate 94.21 di(2-ethylhexyl) phthalate 31.13 ethyl propionate 77.75 nitromethane 238.41 1,2-diethoxyethane 114.44 benzonitrile 112.2 trioctyl phosphate 17.7 1-bromopropane 88.85 gamma-valerolactone 250.0 n-decanol 15.21 triethyl phosphate 37.32 4-methyl-2-pentanol 22.65 propionitrile 104.83 vinylene carbonate 123.47 1,1,2-trichlorotrifluoroethane 214.02 DMS 90.39 cumene 28.42 2-octanol 11.29 2-hexanone 77.42 octyl acetate 30.62 limonene 32.44 1,2-dimethoxyethane 196.2 ethyl orthosilicate 34.04 tributyl phosphate 24.21 diacetone alcohol 100.04 N,N-dimethylaniline 74.77 acrylonitrile 175.77 aniline 119.98 1,3-propanediol 85.47 bromobenzene 131.13 dibromomethane 208.17 1,1,2,2-tetrachloroethane 350.59 2-methyl-cyclohexyl acetate 55.46 tetrabutyl urea 36.88 diisobutyl methanol 22.65 2-phenylethanol 69.2 styrene 72.85 dioctyl adipate 47.47 dimethyl sulfate 130.63 ethyl butyrate 64.31 methyl lactate 74.99 butyl lactate 36.62 diethyl carbonate 56.33 propanediol butyl ether 55.98 triethyl orthoformate 46.28 p-tert-butyltoluene 23.22 methyl 4-tert-butylbenzoate 74.72 morpholine 251.88 tert-butylamine 21.92 n-dodecanol 12.74 dimethoxymethane 218.0 ethylene carbonate 88.82 cyrene 82.94 2-ethoxyethyl acetate 77.24 2-ethylhexyl acetate 51.96 1,2,4-trichlorobenzene 129.87 4-methylpyridine 208.11 dibutyl ether 33.75 2,6-dimethyl-4-heptanol 22.65 DEF 127.44 dimethyl isosorbide 143.1 tetrachloroethylene 181.99 eugenol 74.57 triacetin 81.03 span 80 54.27 1,4-butanediol 30.68 1,1-dichloroethane 164.14 2-methyl-1-pentanol 42.39 methyl formate 110.58 2-methyl-1-butanol 37.68 n-decane 2.67 butyronitrile 78.08 3,7-dimethyl-1-octanol 27.67 1-chlorooctane 16.48 1-chlorotetradecane 8.74 n-nonane 2.08 undecane 2.28 tert-butylcyclohexane 5.28 cyclooctane 1.5 cyclopentanol 44.78 tetrahydropyran 152.89 tert-amyl methyl ether 45.26 2,5,8-trioxanonane 175.64 1-hexene 11.72 2-isopropoxyethanol 65.36 2,2,2-trifluoroethanol 32.78 methyl butyrate 90.9 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 |