1-Ethylsulfanylbutan-1-ol
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Identifiers
Molecular formula
C6H14OSSMILES
CCCC(O)SCC
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Odor profile
Fragrance Sulfurous 77.6% Meaty 70.21% Onion 59.3% Savory 52.79% Roasted 50.7% Garlic 44.19% Alliaceous 43.61% Vegetable 41.61% Coffee 40.69% Tropical 40.69% Flavor Sulfurous 69.33% Onion 57.45% Sulfury 45.9% Green 39.22% Garlic 38.45% Vegetable 38.41% Meaty 37.79% Tropical 36.3% Roasted 28.81% Cabbage 28.71% Odor impact est.
High -
Properties
XLogP3-AA
2.0pKa est.
7.05 (neutral)Molecular weight
134.24 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Moderately fastBoiling point est.
189°CFlash point
- 73.75 ˚C est.
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Synonyms
- SCHEMBL8586793
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Applications
1-Ethylsulfanylbutan-1-ol is primarily used as an organic synthesis intermediate and a fragrance-building block, with its thioether and secondary hydroxyl functionality enabling the formation of sulfur-containing derivatives for further chemical elaboration. In perfumery and cosmetics, it may serve as an odorant component or fragrance intermediate, contributing sulfur-containing notes to formulations. In industrial manufacturing, it is evaluated as a precursor for sulfur-containing compounds used in specialty chemicals and pharmaceutical development. In polymers and plastics, it can be employed as a reactive modifier or a precursor to introduce sulfur functionality into polymer chains. In coatings and inks, it may be used as a reactive modifier or intermediate to tailor resin properties and adhesion. In household cleaners, it may act as a solvent carrier or fragrance additive in formulations. Subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 3141.8 methanol 3204.81 isopropanol 2517.35 water 2.36 ethyl acetate 791.0 n-propanol 2472.43 acetone 1540.42 n-butanol 2235.61 acetonitrile 1294.83 DMF 1387.02 toluene 367.65 isobutanol 1716.56 1,4-dioxane 2274.44 methyl acetate 744.56 THF 3349.37 2-butanone 1076.16 n-pentanol 1375.6 sec-butanol 1882.3 n-hexane 309.3 ethylene glycol 406.06 NMP 1245.18 cyclohexane 569.76 DMSO 2183.95 n-butyl acetate 1547.42 n-octanol 853.38 chloroform 2838.93 n-propyl acetate 799.28 acetic acid 1582.09 dichloromethane 2117.81 cyclohexanone 2195.7 propylene glycol 695.0 isopropyl acetate 501.76 DMAc 641.39 2-ethoxyethanol 1027.79 isopentanol 1409.65 n-heptane 453.31 ethyl formate 838.76 1,2-dichloroethane 1119.78 n-hexanol 1938.9 2-methoxyethanol 1682.71 isobutyl acetate 502.89 tetrachloromethane 547.49 n-pentyl acetate 778.75 transcutol 2048.9 n-heptanol 859.89 ethylbenzene 239.08 MIBK 531.17 2-propoxyethanol 1652.7 tert-butanol 2124.94 MTBE 1108.22 2-butoxyethanol 975.17 propionic acid 1293.52 o-xylene 237.87 formic acid 388.6 diethyl ether 1107.6 m-xylene 257.38 p-xylene 321.85 chlorobenzene 675.91 dimethyl carbonate 152.32 n-octane 145.51 formamide 428.64 cyclopentanone 2004.82 2-pentanone 980.47 anisole 471.61 cyclopentyl methyl ether 1198.28 gamma-butyrolactone 1853.18 1-methoxy-2-propanol 1174.03 pyridine 1418.56 3-pentanone 536.61 furfural 1463.17 n-dodecane 91.56 diethylene glycol 916.33 diisopropyl ether 345.78 tert-amyl alcohol 1439.59 acetylacetone 659.31 n-hexadecane 103.1 acetophenone 451.62 methyl propionate 500.38 isopentyl acetate 1130.25 trichloroethylene 1931.22 n-nonanol 685.93 cyclohexanol 1814.27 benzyl alcohol 524.83 2-ethylhexanol 1135.52 isooctanol 649.55 dipropyl ether 1158.06 1,2-dichlorobenzene 580.59 ethyl lactate 304.62 propylene carbonate 1049.51 n-methylformamide 897.58 2-pentanol 1294.47 n-pentane 307.36 1-propoxy-2-propanol 1454.88 1-methoxy-2-propyl acetate 678.78 2-(2-methoxypropoxy) propanol 564.7 mesitylene 188.63 ε-caprolactone 1585.59 p-cymene 300.32 epichlorohydrin 1628.93 1,1,1-trichloroethane 1126.11 2-aminoethanol 928.2 morpholine-4-carbaldehyde 1307.42 sulfolane 2002.44 2,2,4-trimethylpentane 124.4 2-methyltetrahydrofuran 2326.16 n-hexyl acetate 950.09 isooctane 117.17 2-(2-butoxyethoxy)ethanol 910.42 sec-butyl acetate 449.56 tert-butyl acetate 539.5 decalin 160.24 glycerin 671.18 diglyme 1508.55 acrylic acid 882.32 isopropyl myristate 382.98 n-butyric acid 1909.42 acetyl acetate 388.09 di(2-ethylhexyl) phthalate 311.58 ethyl propionate 444.14 nitromethane 1480.15 1,2-diethoxyethane 1036.85 benzonitrile 915.52 trioctyl phosphate 305.29 1-bromopropane 1017.89 gamma-valerolactone 2162.88 n-decanol 476.09 triethyl phosphate 272.69 4-methyl-2-pentanol 567.64 propionitrile 1145.2 vinylene carbonate 932.27 1,1,2-trichlorotrifluoroethane 1081.24 DMS 337.04 cumene 188.43 2-octanol 641.72 2-hexanone 938.04 octyl acetate 473.84 limonene 582.81 1,2-dimethoxyethane 1620.06 ethyl orthosilicate 298.24 tributyl phosphate 346.0 diacetone alcohol 662.11 N,N-dimethylaniline 306.05 acrylonitrile 1094.21 aniline 613.64 1,3-propanediol 1372.12 bromobenzene 650.14 dibromomethane 1682.65 1,1,2,2-tetrachloroethane 1552.6 2-methyl-cyclohexyl acetate 618.43 tetrabutyl urea 444.92 diisobutyl methanol 564.23 2-phenylethanol 646.56 styrene 324.31 dioctyl adipate 473.04 dimethyl sulfate 250.27 ethyl butyrate 846.26 methyl lactate 305.82 butyl lactate 594.12 diethyl carbonate 442.79 propanediol butyl ether 897.35 triethyl orthoformate 574.24 p-tert-butyltoluene 281.69 methyl 4-tert-butylbenzoate 462.78 morpholine 2601.17 tert-butylamine 1498.63 n-dodecanol 354.24 dimethoxymethane 704.55 ethylene carbonate 846.2 cyrene 497.17 2-ethoxyethyl acetate 634.5 2-ethylhexyl acetate 871.27 1,2,4-trichlorobenzene 652.67 4-methylpyridine 1257.43 dibutyl ether 914.44 2,6-dimethyl-4-heptanol 564.23 DEF 857.82 dimethyl isosorbide 920.75 tetrachloroethylene 1148.25 eugenol 504.27 triacetin 537.77 span 80 768.63 1,4-butanediol 571.77 1,1-dichloroethane 1307.97 2-methyl-1-pentanol 926.09 methyl formate 576.61 2-methyl-1-butanol 1353.89 n-decane 172.72 butyronitrile 1791.16 3,7-dimethyl-1-octanol 687.1 1-chlorooctane 498.16 1-chlorotetradecane 192.34 n-nonane 193.06 undecane 119.44 tert-butylcyclohexane 165.95 cyclooctane 159.09 cyclopentanol 1945.26 tetrahydropyran 2903.07 tert-amyl methyl ether 669.2 2,5,8-trioxanonane 933.8 1-hexene 821.04 2-isopropoxyethanol 714.7 2,2,2-trifluoroethanol 336.31 methyl butyrate 799.67 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
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No restriction |