2-[1-(furan-2-ylmethoxy)ethylsulfanylmethyl]furan
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Identifiers
Molecular formula
C12H14O3SSMILES
CC(OCC1=CC=CO1)SCC2=CC=CO2
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Odor profile
Fragrance Coffee 73.15% Sulfurous 67.26% Roasted 67.03% Meaty 62.89% Burnt 48.29% Savory 44.53% Nutty 43.15% Onion 38.99% Earthy 36.18% Cooked 35.52% Flavor Roasted 66.51% Sulfury 66.16% Coffee 65.91% Meaty 61.79% Onion 47.9% Roast 40.13% Vegetable 38.37% Earthy 38.29% Burnt 37.98% Mushroom 37.56% Odor impact est.
Medium -
Properties
XLogP3-AA
2.4pKa est.
5.11 (weak acid)Molecular weight
238.3 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
325°CFlash point
- 132.22 ˚C est.
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Applications
2-[1-(furan-2-ylmethoxy)ethylsulfanylmethyl]furan (CAS number: ) is primarily used as an intermediate in the synthesis of fragrance compounds and specialty polymer materials; it is commonly evaluated for cosmetics/personal care applications as a fragrance ingredient or intermediate, and may serve in polymer or plastics systems as a functional unit; it can also be employed as a reactive intermediate in coatings and inks to impart sulfur- and furan-containing functionality that can influence adhesion and chemical reactivity; in industrial manufacturing, it provides a building block for specialized intermediates and related applications in plastics and coatings.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 432.4 methanol 598.63 isopropanol 279.42 water 3.1 ethyl acetate 442.68 n-propanol 300.69 acetone 260.73 n-butanol 263.8 acetonitrile 516.03 DMF 226.33 toluene 257.96 isobutanol 201.19 1,4-dioxane 1562.99 methyl acetate 426.51 THF 947.03 2-butanone 330.01 n-pentanol 235.89 sec-butanol 251.83 n-hexane 7.4 ethylene glycol 164.41 NMP 117.32 cyclohexane 67.64 DMSO 775.5 n-butyl acetate 145.74 n-octanol 120.39 chloroform 1345.35 n-propyl acetate 226.12 acetic acid 337.88 dichloromethane 1417.57 cyclohexanone 385.83 propylene glycol 252.77 isopropyl acetate 182.61 DMAc 446.54 2-ethoxyethanol 728.06 isopentanol 193.18 n-heptane 18.05 ethyl formate 262.76 1,2-dichloroethane 684.82 n-hexanol 141.28 2-methoxyethanol 738.93 isobutyl acetate 141.5 tetrachloromethane 89.55 n-pentyl acetate 121.33 transcutol 1491.23 n-heptanol 87.53 ethylbenzene 117.37 MIBK 155.36 2-propoxyethanol 377.67 tert-butanol 308.42 MTBE 234.7 2-butoxyethanol 222.43 propionic acid 215.65 o-xylene 137.15 formic acid 150.11 diethyl ether 305.91 m-xylene 118.65 p-xylene 151.94 chlorobenzene 286.9 dimethyl carbonate 135.62 n-octane 10.52 formamide 273.77 cyclopentanone 270.31 2-pentanone 209.06 anisole 339.27 cyclopentyl methyl ether 300.09 gamma-butyrolactone 322.47 1-methoxy-2-propanol 474.16 pyridine 797.89 3-pentanone 206.07 furfural 447.05 n-dodecane 14.37 diethylene glycol 398.14 diisopropyl ether 61.95 tert-amyl alcohol 230.42 acetylacetone 278.88 n-hexadecane 16.46 acetophenone 274.33 methyl propionate 264.47 isopentyl acetate 146.1 trichloroethylene 1006.05 n-nonanol 121.95 cyclohexanol 278.05 benzyl alcohol 306.75 2-ethylhexanol 99.47 isooctanol 76.41 dipropyl ether 154.1 1,2-dichlorobenzene 233.82 ethyl lactate 130.02 propylene carbonate 221.74 n-methylformamide 171.22 2-pentanol 150.04 n-pentane 9.71 1-propoxy-2-propanol 230.69 1-methoxy-2-propyl acetate 209.22 2-(2-methoxypropoxy) propanol 270.62 mesitylene 68.18 ε-caprolactone 324.83 p-cymene 67.3 epichlorohydrin 759.09 1,1,1-trichloroethane 462.05 2-aminoethanol 268.26 morpholine-4-carbaldehyde 488.88 sulfolane 292.11 2,2,4-trimethylpentane 10.73 2-methyltetrahydrofuran 505.71 n-hexyl acetate 173.4 isooctane 6.98 2-(2-butoxyethoxy)ethanol 410.31 sec-butyl acetate 146.6 tert-butyl acetate 154.95 decalin 23.89 glycerin 308.65 diglyme 807.95 acrylic acid 192.32 isopropyl myristate 89.0 n-butyric acid 273.13 acetyl acetate 238.45 di(2-ethylhexyl) phthalate 93.8 ethyl propionate 193.9 nitromethane 520.64 1,2-diethoxyethane 439.16 benzonitrile 313.56 trioctyl phosphate 56.9 1-bromopropane 314.89 gamma-valerolactone 541.17 n-decanol 96.27 triethyl phosphate 89.96 4-methyl-2-pentanol 86.42 propionitrile 327.89 vinylene carbonate 276.54 1,1,2-trichlorotrifluoroethane 416.15 DMS 163.04 cumene 69.28 2-octanol 67.24 2-hexanone 194.57 octyl acetate 106.88 limonene 91.41 1,2-dimethoxyethane 1040.52 ethyl orthosilicate 93.06 tributyl phosphate 75.12 diacetone alcohol 197.66 N,N-dimethylaniline 200.88 acrylonitrile 387.45 aniline 319.54 1,3-propanediol 366.35 bromobenzene 323.82 dibromomethane 759.07 1,1,2,2-tetrachloroethane 852.34 2-methyl-cyclohexyl acetate 141.8 tetrabutyl urea 114.86 diisobutyl methanol 63.7 2-phenylethanol 185.6 styrene 179.74 dioctyl adipate 143.59 dimethyl sulfate 154.77 ethyl butyrate 158.55 methyl lactate 138.76 butyl lactate 107.77 diethyl carbonate 129.41 propanediol butyl ether 230.98 triethyl orthoformate 139.87 p-tert-butyltoluene 59.41 methyl 4-tert-butylbenzoate 173.17 morpholine 1218.06 tert-butylamine 157.1 n-dodecanol 77.44 dimethoxymethane 455.72 ethylene carbonate 268.96 cyrene 233.04 2-ethoxyethyl acetate 222.25 2-ethylhexyl acetate 115.64 1,2,4-trichlorobenzene 281.97 4-methylpyridine 445.56 dibutyl ether 168.68 2,6-dimethyl-4-heptanol 63.7 DEF 239.58 dimethyl isosorbide 352.83 tetrachloroethylene 479.29 eugenol 190.92 triacetin 234.69 span 80 196.75 1,4-butanediol 227.02 1,1-dichloroethane 559.86 2-methyl-1-pentanol 169.63 methyl formate 157.3 2-methyl-1-butanol 172.4 n-decane 22.12 butyronitrile 322.37 3,7-dimethyl-1-octanol 116.15 1-chlorooctane 86.59 1-chlorotetradecane 41.0 n-nonane 18.47 undecane 17.04 tert-butylcyclohexane 16.63 cyclooctane 18.9 cyclopentanol 213.99 tetrahydropyran 878.45 tert-amyl methyl ether 166.9 2,5,8-trioxanonane 605.74 1-hexene 50.53 2-isopropoxyethanol 398.83 2,2,2-trifluoroethanol 126.7 methyl butyrate 247.4 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 |