3-(Furan-3-yl)-2-methylprop-2-enal
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Identifiers
Molecular formula
C8H8O2SMILES
CC(=CC1=COC=C1)C=O
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Odor profile
Fragrance Spicy 80.73% Herbal 55.56% Cinnamon 54.14% Woody 52.24% Warm 45.69% Nutty 45.48% Sweet 43.46% Green 34.79% Almond 33.37% Caramellic 29.69% Flavor Woody 51.9% Herbal 47.05% Spice 39.84% Spicy 28.09% Cinnamon 24.32% Minty 24.01% Tobacco 22.81% Sweet 22.43% Nutty 21.56% Phenolic 20.79% Odor impact est.
Medium -
Properties
XLogP3-AA
1.2pKa est.
5.78 (weak acid)Molecular weight
136.15 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
ModerateBoiling point est.
214°CFlash point
- 76.71 ˚C est.
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Synonyms
- DTXSID601299385
- AKOS017883835
- 28043-36-9
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Applications
3-(Furan-3-yl)-2-methylprop-2-enal is primarily used as an aroma ingredient and a fragrance intermediate in perfumery; it is also employed as a fragrance component in cosmetics and personal care formulations; in consumer products it may be used in household cleaners and air fresheners to impart scent; in industrial manufacturing it serves as a synthetic intermediate for functional polymers and specialty resins; it is also regarded as a building block for polymers and specialty plastics; in coatings and inks it can act as a fragrance additive or scent-active precursor for surface coatings; CAS number:
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 608.95 methanol 963.84 isopropanol 376.74 water 19.35 ethyl acetate 350.01 n-propanol 376.41 acetone 627.51 n-butanol 330.54 acetonitrile 479.73 DMF 1007.57 toluene 188.91 isobutanol 280.15 1,4-dioxane 515.2 methyl acetate 420.99 THF 583.63 2-butanone 452.15 n-pentanol 224.94 sec-butanol 289.15 n-hexane 21.19 ethylene glycol 325.9 NMP 682.59 cyclohexane 24.05 DMSO 656.14 n-butyl acetate 180.15 n-octanol 134.23 chloroform 652.57 n-propyl acetate 207.68 acetic acid 542.59 dichloromethane 734.21 cyclohexanone 387.45 propylene glycol 261.35 isopropyl acetate 190.73 DMAc 754.84 2-ethoxyethanol 484.04 isopentanol 275.97 n-heptane 26.44 ethyl formate 273.92 1,2-dichloroethane 433.93 n-hexanol 215.59 2-methoxyethanol 741.88 isobutyl acetate 153.03 tetrachloromethane 113.45 n-pentyl acetate 118.16 transcutol 856.02 n-heptanol 120.42 ethylbenzene 108.73 MIBK 230.92 2-propoxyethanol 436.65 tert-butanol 429.21 MTBE 311.21 2-butoxyethanol 236.43 propionic acid 345.36 o-xylene 142.88 formic acid 390.79 diethyl ether 298.64 m-xylene 151.0 p-xylene 128.77 chlorobenzene 212.17 dimethyl carbonate 211.22 n-octane 14.17 formamide 471.67 cyclopentanone 516.02 2-pentanone 349.17 anisole 283.0 cyclopentyl methyl ether 298.35 gamma-butyrolactone 513.08 1-methoxy-2-propanol 520.32 pyridine 383.6 3-pentanone 251.52 furfural 518.92 n-dodecane 15.09 diethylene glycol 445.81 diisopropyl ether 94.7 tert-amyl alcohol 336.74 acetylacetone 362.91 n-hexadecane 16.63 acetophenone 246.71 methyl propionate 308.61 isopentyl acetate 171.89 trichloroethylene 786.81 n-nonanol 113.15 cyclohexanol 211.96 benzyl alcohol 229.55 2-ethylhexanol 128.62 isooctanol 103.71 dipropyl ether 144.63 1,2-dichlorobenzene 201.41 ethyl lactate 145.66 propylene carbonate 278.57 n-methylformamide 524.24 2-pentanol 216.76 n-pentane 25.8 1-propoxy-2-propanol 260.35 1-methoxy-2-propyl acetate 221.91 2-(2-methoxypropoxy) propanol 239.92 mesitylene 98.62 ε-caprolactone 305.26 p-cymene 78.69 epichlorohydrin 616.8 1,1,1-trichloroethane 389.39 2-aminoethanol 383.51 morpholine-4-carbaldehyde 664.08 sulfolane 560.01 2,2,4-trimethylpentane 27.19 2-methyltetrahydrofuran 424.44 n-hexyl acetate 186.49 isooctane 22.61 2-(2-butoxyethoxy)ethanol 291.61 sec-butyl acetate 148.65 tert-butyl acetate 222.89 decalin 26.46 glycerin 368.53 diglyme 524.1 acrylic acid 364.51 isopropyl myristate 87.06 n-butyric acid 345.27 acetyl acetate 208.06 di(2-ethylhexyl) phthalate 91.97 ethyl propionate 178.76 nitromethane 744.06 1,2-diethoxyethane 232.05 benzonitrile 226.2 trioctyl phosphate 66.62 1-bromopropane 231.96 gamma-valerolactone 575.26 n-decanol 87.7 triethyl phosphate 90.24 4-methyl-2-pentanol 141.02 propionitrile 315.58 vinylene carbonate 278.06 1,1,2-trichlorotrifluoroethane 454.47 DMS 188.01 cumene 87.25 2-octanol 84.35 2-hexanone 219.2 octyl acetate 105.38 limonene 106.35 1,2-dimethoxyethane 525.2 ethyl orthosilicate 87.52 tributyl phosphate 76.75 diacetone alcohol 302.16 N,N-dimethylaniline 196.82 acrylonitrile 419.25 aniline 245.22 1,3-propanediol 410.91 bromobenzene 211.46 dibromomethane 420.52 1,1,2,2-tetrachloroethane 476.33 2-methyl-cyclohexyl acetate 132.74 tetrabutyl urea 108.85 diisobutyl methanol 93.55 2-phenylethanol 184.92 styrene 134.65 dioctyl adipate 119.97 dimethyl sulfate 302.66 ethyl butyrate 153.84 methyl lactate 216.77 butyl lactate 112.41 diethyl carbonate 117.75 propanediol butyl ether 231.36 triethyl orthoformate 111.01 p-tert-butyltoluene 78.99 methyl 4-tert-butylbenzoate 193.31 morpholine 543.06 tert-butylamine 241.78 n-dodecanol 70.04 dimethoxymethane 505.01 ethylene carbonate 203.91 cyrene 234.61 2-ethoxyethyl acetate 179.78 2-ethylhexyl acetate 130.48 1,2,4-trichlorobenzene 240.2 4-methylpyridine 373.65 dibutyl ether 117.45 2,6-dimethyl-4-heptanol 93.55 DEF 403.15 dimethyl isosorbide 300.8 tetrachloroethylene 344.16 eugenol 202.97 triacetin 202.34 span 80 173.0 1,4-butanediol 218.8 1,1-dichloroethane 447.54 2-methyl-1-pentanol 209.76 methyl formate 434.4 2-methyl-1-butanol 262.24 n-decane 22.53 butyronitrile 285.57 3,7-dimethyl-1-octanol 131.99 1-chlorooctane 82.34 1-chlorotetradecane 39.3 n-nonane 21.43 undecane 17.94 tert-butylcyclohexane 32.98 cyclooctane 13.23 cyclopentanol 248.42 tetrahydropyran 353.7 tert-amyl methyl ether 227.83 2,5,8-trioxanonane 356.81 1-hexene 85.45 2-isopropoxyethanol 329.28 2,2,2-trifluoroethanol 248.46 methyl butyrate 236.09 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 |
| Name | CAS | Botanical | Proportion |
|---|---|---|---|
| Carob bean extract 1 | 9000-40-2 | Ceratonia siliqua L., fam. Leguminoseae | 0.08% |