Dithenyl ether
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Identifiers
Molecular formula
C10H10OS2SMILES
C1=CSC(=C1)COCC2=CC=CS2
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Odor profile
Fragrance Fruity 69.22% Woody 67.28% Earthy 46.74% Green 46.71% Burnt 40.16% Coffee 39.15% Mushroom 34.7% Nutty 33.19% Roasted 32.57% Sulfurous 29.06% Flavor Coffee 66.87% Roasted 52.27% Nutty 48.14% Sulfury 44.19% Meaty 39.73% Vegetable 37.61% Roast 34.03% Earthy 32.14% Chocolate 31.76% Sulfur 31.35% Odor impact est.
High -
Properties
XLogP3-AA
2.5pKa est.
4.51 (weak acid)Molecular weight
210.3 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
307°CFlash point
- 98.29 ˚C est.
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Synonyms
- dithenyl ether
- di-2-thenyl ether
- SCHEMBL6733610
- UPUNEQCNOBZFLJ-UHFFFAOYSA-N
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Applications
Dithenyl ether is a high-boiling organic solvent commonly used as a reaction medium in various industrial syntheses, particularly at elevated temperature. It often serves as an intermediate in the synthesis of polymers and specialty chemicals, enabling stable diaryl ether linkages. It is used as a heat-transfer fluid in certain industrial process heating applications. In coatings, inks, and adhesives formulations, it may act as a solvent component or reactive intermediate. It may also be used as a fragrance ingredient or odorant in perfumery, subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 28.02 methanol 20.69 isopropanol 22.23 water 0.23 ethyl acetate 69.71 n-propanol 29.68 acetone 57.76 n-butanol 34.67 acetonitrile 38.42 DMF 49.06 toluene 76.51 isobutanol 24.58 1,4-dioxane 142.94 methyl acetate 62.33 THF 184.14 2-butanone 74.49 n-pentanol 39.99 sec-butanol 33.02 n-hexane 10.91 ethylene glycol 9.49 NMP 64.77 cyclohexane 20.84 DMSO 53.41 n-butyl acetate 72.04 n-octanol 31.49 chloroform 315.76 n-propyl acetate 75.65 acetic acid 67.41 dichloromethane 206.86 cyclohexanone 107.08 propylene glycol 17.49 isopropyl acetate 61.25 DMAc 100.61 2-ethoxyethanol 97.44 isopentanol 38.8 n-heptane 19.29 ethyl formate 36.81 1,2-dichloroethane 114.58 n-hexanol 45.28 2-methoxyethanol 78.14 isobutyl acetate 70.32 tetrachloromethane 34.24 n-pentyl acetate 49.78 transcutol 324.01 n-heptanol 33.56 ethylbenzene 51.86 MIBK 66.57 2-propoxyethanol 95.96 tert-butanol 38.23 MTBE 66.08 2-butoxyethanol 72.27 propionic acid 36.03 o-xylene 56.38 formic acid 17.54 diethyl ether 72.92 m-xylene 55.55 p-xylene 61.09 chlorobenzene 84.26 dimethyl carbonate 34.08 n-octane 8.94 formamide 26.86 cyclopentanone 94.77 2-pentanone 65.92 anisole 114.28 cyclopentyl methyl ether 97.96 gamma-butyrolactone 91.53 1-methoxy-2-propanol 70.09 pyridine 126.86 3-pentanone 64.17 furfural 121.83 n-dodecane 7.38 diethylene glycol 61.89 diisopropyl ether 37.83 tert-amyl alcohol 46.32 acetylacetone 83.57 n-hexadecane 8.42 acetophenone 105.49 methyl propionate 54.65 isopentyl acetate 83.26 trichloroethylene 271.01 n-nonanol 34.79 cyclohexanol 49.15 benzyl alcohol 70.65 2-ethylhexanol 48.48 isooctanol 34.22 dipropyl ether 79.19 1,2-dichlorobenzene 91.55 ethyl lactate 48.71 propylene carbonate 73.61 n-methylformamide 25.42 2-pentanol 34.54 n-pentane 10.6 1-propoxy-2-propanol 85.5 1-methoxy-2-propyl acetate 99.11 2-(2-methoxypropoxy) propanol 102.36 mesitylene 41.64 ε-caprolactone 101.35 p-cymene 45.57 epichlorohydrin 157.77 1,1,1-trichloroethane 137.56 2-aminoethanol 21.5 morpholine-4-carbaldehyde 122.03 sulfolane 83.05 2,2,4-trimethylpentane 13.38 2-methyltetrahydrofuran 114.74 n-hexyl acetate 62.94 isooctane 10.44 2-(2-butoxyethoxy)ethanol 121.6 sec-butyl acetate 72.33 tert-butyl acetate 81.28 decalin 19.21 glycerin 30.66 diglyme 224.67 acrylic acid 39.12 isopropyl myristate 40.39 n-butyric acid 59.92 acetyl acetate 61.36 di(2-ethylhexyl) phthalate 38.71 ethyl propionate 69.14 nitromethane 80.68 1,2-diethoxyethane 114.06 benzonitrile 73.13 trioctyl phosphate 24.53 1-bromopropane 73.75 gamma-valerolactone 145.83 n-decanol 27.3 triethyl phosphate 51.46 4-methyl-2-pentanol 34.86 propionitrile 37.68 vinylene carbonate 78.55 1,1,2-trichlorotrifluoroethane 141.43 DMS 57.49 cumene 42.39 2-octanol 25.28 2-hexanone 76.61 octyl acetate 42.64 limonene 63.1 1,2-dimethoxyethane 167.75 ethyl orthosilicate 53.89 tributyl phosphate 30.85 diacetone alcohol 78.87 N,N-dimethylaniline 87.05 acrylonitrile 45.2 aniline 66.67 1,3-propanediol 32.32 bromobenzene 91.53 dibromomethane 145.32 1,1,2,2-tetrachloroethane 218.21 2-methyl-cyclohexyl acetate 88.42 tetrabutyl urea 41.46 diisobutyl methanol 41.26 2-phenylethanol 71.86 styrene 62.39 dioctyl adipate 58.38 dimethyl sulfate 44.67 ethyl butyrate 82.8 methyl lactate 39.41 butyl lactate 46.24 diethyl carbonate 60.82 propanediol butyl ether 58.65 triethyl orthoformate 77.91 p-tert-butyltoluene 44.88 methyl 4-tert-butylbenzoate 91.96 morpholine 129.8 tert-butylamine 29.44 n-dodecanol 23.2 dimethoxymethane 73.13 ethylene carbonate 60.9 cyrene 108.02 2-ethoxyethyl acetate 80.15 2-ethylhexyl acetate 71.73 1,2,4-trichlorobenzene 112.26 4-methylpyridine 106.42 dibutyl ether 56.9 2,6-dimethyl-4-heptanol 41.26 DEF 68.8 dimethyl isosorbide 161.65 tetrachloroethylene 131.46 eugenol 93.91 triacetin 96.48 span 80 76.71 1,4-butanediol 22.12 1,1-dichloroethane 113.07 2-methyl-1-pentanol 47.33 methyl formate 23.39 2-methyl-1-butanol 36.68 n-decane 12.1 butyronitrile 42.72 3,7-dimethyl-1-octanol 39.22 1-chlorooctane 34.55 1-chlorotetradecane 17.95 n-nonane 11.13 undecane 8.96 tert-butylcyclohexane 18.35 cyclooctane 12.27 cyclopentanol 38.51 tetrahydropyran 120.48 tert-amyl methyl ether 70.03 2,5,8-trioxanonane 170.07 1-hexene 35.65 2-isopropoxyethanol 83.46 2,2,2-trifluoroethanol 36.71 methyl butyrate 77.09 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 |