2-Dodecylpropane-1,3-dithiol
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Identifiers
Molecular formula
C15H32S2SMILES
CCCCCCCCCCCCC(CS)CS
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Odor profile
Fragrance Sulfurous 80.19% Meaty 71.52% Fatty 65.72% Savory 51.52% Roasted 44.38% Vegetable 36.57% Waxy 35.95% Burnt 35.24% Alliaceous 32.88% Onion 32.31% Flavor Bland 26.56% Mild 24.88% Sulfurous 23.96% Fatty 23.14% Skunky 22.69% Slightly waxy 22.47% Waxy 22.41% Delicate 21.95% Faint 21.87% Bay oil 21.18% Odor impact est.
Low -
Properties
XLogP3-AA
7.4pKa est.
7.91 (neutral)Molecular weight
276.5 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
363°CFlash point
- 142.25 ˚C est.
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Synonyms
- SCHEMBL2573289
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Applications
2-Dodecylpropane-1,3-dithiol is used primarily as a reactive dithiol intermediate in the synthesis and functionalization of polymers. It commonly serves as a thiol curing agent for epoxy resins and as a crosslinker/chain extender in polyurethane and acrylate coatings to improve chemical resistance and adhesion. Its amphiphilic structure enables use as a surfactant or coupling agent in coatings, inks, and plastics. In metal processing and catalysis contexts, it can act as a chelating ligand or stabilizer for metal complexes. It may also be evaluated as a radical scavenger or stabilizer in polymerization processes to modulate curing and aging. Subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 77.05 methanol 31.04 isopropanol 120.75 water 0.0 ethyl acetate 639.29 n-propanol 128.41 acetone 516.47 n-butanol 209.42 acetonitrile 74.27 DMF 281.83 toluene 486.4 isobutanol 150.65 1,4-dioxane 1021.83 methyl acetate 325.85 THF 2629.82 2-butanone 598.89 n-pentanol 169.32 sec-butanol 191.69 n-hexane 307.89 ethylene glycol 3.33 NMP 660.91 cyclohexane 1232.68 DMSO 478.44 n-butyl acetate 1328.92 n-octanol 196.25 chloroform 1238.8 n-propyl acetate 707.51 acetic acid 80.75 dichloromethane 1095.16 cyclohexanone 1717.03 propylene glycol 13.74 isopropyl acetate 623.88 DMAc 418.96 2-ethoxyethanol 182.36 isopentanol 282.46 n-heptane 711.59 ethyl formate 174.42 1,2-dichloroethane 962.32 n-hexanol 328.05 2-methoxyethanol 197.46 isobutyl acetate 557.53 tetrachloromethane 394.5 n-pentyl acetate 793.93 transcutol 1171.48 n-heptanol 209.62 ethylbenzene 280.25 MIBK 627.23 2-propoxyethanol 365.03 tert-butanol 326.86 MTBE 824.09 2-butoxyethanol 311.37 propionic acid 105.35 o-xylene 344.83 formic acid 5.0 diethyl ether 907.06 m-xylene 325.69 p-xylene 391.81 chlorobenzene 518.72 dimethyl carbonate 93.61 n-octane 157.91 formamide 11.87 cyclopentanone 1474.68 2-pentanone 793.64 anisole 435.13 cyclopentyl methyl ether 1511.25 gamma-butyrolactone 935.5 1-methoxy-2-propanol 241.85 pyridine 761.31 3-pentanone 649.78 furfural 528.74 n-dodecane 55.74 diethylene glycol 93.76 diisopropyl ether 497.35 tert-amyl alcohol 325.65 acetylacetone 663.69 n-hexadecane 71.09 acetophenone 454.47 methyl propionate 347.68 isopentyl acetate 1104.34 trichloroethylene 1379.71 n-nonanol 211.22 cyclohexanol 538.1 benzyl alcohol 185.25 2-ethylhexanol 460.77 isooctanol 239.59 dipropyl ether 1746.25 1,2-dichlorobenzene 511.34 ethyl lactate 142.22 propylene carbonate 549.36 n-methylformamide 57.07 2-pentanol 238.53 n-pentane 234.84 1-propoxy-2-propanol 553.89 1-methoxy-2-propyl acetate 740.5 2-(2-methoxypropoxy) propanol 284.85 mesitylene 266.31 ε-caprolactone 1138.86 p-cymene 344.77 epichlorohydrin 1123.79 1,1,1-trichloroethane 1303.95 2-aminoethanol 17.09 morpholine-4-carbaldehyde 549.93 sulfolane 1254.4 2,2,4-trimethylpentane 117.86 2-methyltetrahydrofuran 1901.9 n-hexyl acetate 709.64 isooctane 99.21 2-(2-butoxyethoxy)ethanol 403.65 sec-butyl acetate 599.85 tert-butyl acetate 887.67 decalin 254.76 glycerin 22.9 diglyme 1027.72 acrylic acid 56.09 isopropyl myristate 344.19 n-butyric acid 334.85 acetyl acetate 363.34 di(2-ethylhexyl) phthalate 170.45 ethyl propionate 545.51 nitromethane 167.22 1,2-diethoxyethane 1198.51 benzonitrile 290.59 trioctyl phosphate 155.54 1-bromopropane 963.22 gamma-valerolactone 1145.01 n-decanol 150.74 triethyl phosphate 367.66 4-methyl-2-pentanol 197.62 propionitrile 152.23 vinylene carbonate 325.49 1,1,2-trichlorotrifluoroethane 449.3 DMS 306.23 cumene 209.52 2-octanol 190.68 2-hexanone 728.12 octyl acetate 346.39 limonene 717.36 1,2-dimethoxyethane 821.73 ethyl orthosilicate 403.16 tributyl phosphate 210.58 diacetone alcohol 503.56 N,N-dimethylaniline 304.31 acrylonitrile 111.22 aniline 274.76 1,3-propanediol 58.78 bromobenzene 714.15 dibromomethane 914.46 1,1,2,2-tetrachloroethane 1413.99 2-methyl-cyclohexyl acetate 701.53 tetrabutyl urea 304.84 diisobutyl methanol 394.86 2-phenylethanol 252.05 styrene 346.85 dioctyl adipate 410.29 dimethyl sulfate 183.39 ethyl butyrate 1071.15 methyl lactate 87.77 butyl lactate 324.49 diethyl carbonate 488.88 propanediol butyl ether 169.41 triethyl orthoformate 808.72 p-tert-butyltoluene 335.89 methyl 4-tert-butylbenzoate 403.48 morpholine 1079.65 tert-butylamine 304.35 n-dodecanol 118.54 dimethoxymethane 363.2 ethylene carbonate 382.03 cyrene 270.12 2-ethoxyethyl acetate 672.96 2-ethylhexyl acetate 1024.73 1,2,4-trichlorobenzene 575.4 4-methylpyridine 711.34 dibutyl ether 985.96 2,6-dimethyl-4-heptanol 394.86 DEF 694.64 dimethyl isosorbide 731.0 tetrachloroethylene 832.16 eugenol 255.61 triacetin 509.89 span 80 295.81 1,4-butanediol 23.11 1,1-dichloroethane 927.75 2-methyl-1-pentanol 224.46 methyl formate 54.53 2-methyl-1-butanol 231.87 n-decane 143.9 butyronitrile 293.27 3,7-dimethyl-1-octanol 289.27 1-chlorooctane 388.28 1-chlorotetradecane 129.74 n-nonane 161.13 undecane 82.51 tert-butylcyclohexane 185.21 cyclooctane 351.67 cyclopentanol 446.9 tetrahydropyran 2168.97 tert-amyl methyl ether 649.2 2,5,8-trioxanonane 582.41 1-hexene 529.19 2-isopropoxyethanol 219.82 2,2,2-trifluoroethanol 29.12 methyl butyrate 728.74 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 |