5-Ethyl-2,3,4,6,7-pentathiadecane
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Identifiers
Molecular formula
C7H16S5SMILES
CCCSSC(CC)SSSC
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Odor profile
Fragrance Sulfurous 84.6% Onion 82.27% Garlic 75.66% Alliaceous 70.68% Savory 56.65% Roasted 53.66% Cooked 52.82% Meaty 45.51% Pungent 43.35% Green 42.7% Flavor Onion 72.78% Garlic 66.14% Sulfurous 62.64% Green 53.07% Alliaceous 47.03% Metallic 36.78% Cabbage 33.77% Sulfury 32.75% Cooked 29.51% Meaty 28.83% Odor impact est.
High -
Properties
XLogP3-AA
4.0pKa est.
3.53 (weak acid)Molecular weight
260.5 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
347°CFlash point
- 167.37 ˚C est.
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Applications
5-Ethyl-2,3,4,6,7-pentathiadecane is a sulfur-containing hydrocarbon typically used as an intermediate in organosulfur synthesis and may be employed as a processing aid in polymer formulations (including rubbers and plastics); it can act as a sulfur donor or crosslinking additive in vulcanization chemistry, and may also function as a lubricant or anti-wear additive in industrial lubricants, as well as a specialty modifier for coatings or inks, all subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 518.45 methanol 314.82 isopropanol 483.29 water 0.04 ethyl acetate 2180.5 n-propanol 520.15 acetone 4082.77 n-butanol 610.44 acetonitrile 1104.03 DMF 5367.66 toluene 3097.11 isobutanol 465.81 1,4-dioxane 4715.95 methyl acetate 1718.52 THF 7820.51 2-butanone 2562.11 n-pentanol 429.74 sec-butanol 482.99 n-hexane 144.46 ethylene glycol 67.84 NMP 5117.62 cyclohexane 989.71 DMSO 4087.88 n-butyl acetate 2197.74 n-octanol 408.81 chloroform 4869.19 n-propyl acetate 1310.08 acetic acid 708.05 dichloromethane 4630.4 cyclohexanone 7413.61 propylene glycol 146.23 isopropyl acetate 1458.85 DMAc 3145.21 2-ethoxyethanol 704.39 isopentanol 563.61 n-heptane 301.1 ethyl formate 1122.33 1,2-dichloroethane 3386.23 n-hexanol 648.16 2-methoxyethanol 1206.39 isobutyl acetate 916.82 tetrachloromethane 908.47 n-pentyl acetate 1275.68 transcutol 2575.35 n-heptanol 341.81 ethylbenzene 810.28 MIBK 1418.29 2-propoxyethanol 1075.61 tert-butanol 742.2 MTBE 1317.95 2-butoxyethanol 630.43 propionic acid 572.75 o-xylene 1211.38 formic acid 87.67 diethyl ether 1547.59 m-xylene 1449.18 p-xylene 1082.52 chlorobenzene 3156.37 dimethyl carbonate 789.72 n-octane 113.4 formamide 256.1 cyclopentanone 7394.34 2-pentanone 2562.18 anisole 1635.74 cyclopentyl methyl ether 3560.81 gamma-butyrolactone 5342.7 1-methoxy-2-propanol 944.32 pyridine 5986.24 3-pentanone 1941.65 furfural 4670.81 n-dodecane 79.03 diethylene glycol 543.28 diisopropyl ether 564.16 tert-amyl alcohol 583.75 acetylacetone 3674.94 n-hexadecane 99.42 acetophenone 1736.42 methyl propionate 1596.93 isopentyl acetate 1765.94 trichloroethylene 7742.03 n-nonanol 378.7 cyclohexanol 1368.31 benzyl alcohol 971.46 2-ethylhexanol 577.11 isooctanol 306.31 dipropyl ether 1252.98 1,2-dichlorobenzene 2383.41 ethyl lactate 384.14 propylene carbonate 2564.86 n-methylformamide 1112.36 2-pentanol 458.99 n-pentane 176.59 1-propoxy-2-propanol 1036.2 1-methoxy-2-propyl acetate 1915.59 2-(2-methoxypropoxy) propanol 693.91 mesitylene 866.23 ε-caprolactone 3797.97 p-cymene 617.12 epichlorohydrin 5223.22 1,1,1-trichloroethane 3964.53 2-aminoethanol 174.93 morpholine-4-carbaldehyde 4680.81 sulfolane 6367.76 2,2,4-trimethylpentane 97.62 2-methyltetrahydrofuran 4530.56 n-hexyl acetate 1410.38 isooctane 95.3 2-(2-butoxyethoxy)ethanol 947.17 sec-butyl acetate 878.23 tert-butyl acetate 1844.36 decalin 276.77 glycerin 214.13 diglyme 2338.02 acrylic acid 527.63 isopropyl myristate 619.72 n-butyric acid 1159.46 acetyl acetate 1517.21 di(2-ethylhexyl) phthalate 498.35 ethyl propionate 1011.54 nitromethane 2314.82 1,2-diethoxyethane 1866.12 benzonitrile 2236.47 trioctyl phosphate 360.67 1-bromopropane 1705.5 gamma-valerolactone 8114.6 n-decanol 286.25 triethyl phosphate 589.24 4-methyl-2-pentanol 305.05 propionitrile 954.77 vinylene carbonate 2345.95 1,1,2-trichlorotrifluoroethane 2233.18 DMS 1200.94 cumene 414.08 2-octanol 306.86 2-hexanone 1397.26 octyl acetate 713.62 limonene 1150.57 1,2-dimethoxyethane 2429.28 ethyl orthosilicate 575.81 tributyl phosphate 490.97 diacetone alcohol 1319.22 N,N-dimethylaniline 989.39 acrylonitrile 1273.23 aniline 1830.28 1,3-propanediol 368.71 bromobenzene 4131.81 dibromomethane 2873.59 1,1,2,2-tetrachloroethane 5026.8 2-methyl-cyclohexyl acetate 1141.43 tetrabutyl urea 764.4 diisobutyl methanol 456.83 2-phenylethanol 1060.72 styrene 1343.23 dioctyl adipate 858.65 dimethyl sulfate 1334.92 ethyl butyrate 1403.54 methyl lactate 505.95 butyl lactate 676.31 diethyl carbonate 839.27 propanediol butyl ether 554.14 triethyl orthoformate 1031.44 p-tert-butyltoluene 635.57 methyl 4-tert-butylbenzoate 1095.91 morpholine 4435.65 tert-butylamine 454.86 n-dodecanol 237.51 dimethoxymethane 2417.74 ethylene carbonate 2017.14 cyrene 1083.73 2-ethoxyethyl acetate 1678.3 2-ethylhexyl acetate 1557.49 1,2,4-trichlorobenzene 2573.14 4-methylpyridine 5832.35 dibutyl ether 1047.98 2,6-dimethyl-4-heptanol 456.83 DEF 2822.85 dimethyl isosorbide 2110.14 tetrachloroethylene 2805.33 eugenol 880.25 triacetin 1253.33 span 80 785.8 1,4-butanediol 166.72 1,1-dichloroethane 2981.22 2-methyl-1-pentanol 412.79 methyl formate 1073.81 2-methyl-1-butanol 513.68 n-decane 143.39 butyronitrile 1329.91 3,7-dimethyl-1-octanol 480.84 1-chlorooctane 549.67 1-chlorotetradecane 227.55 n-nonane 147.18 undecane 101.01 tert-butylcyclohexane 187.04 cyclooctane 346.9 cyclopentanol 1310.25 tetrahydropyran 5031.79 tert-amyl methyl ether 1001.55 2,5,8-trioxanonane 1474.18 1-hexene 503.75 2-isopropoxyethanol 544.43 2,2,2-trifluoroethanol 269.27 methyl butyrate 1543.79 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 |
|---|---|---|---|
| Onion, welsh | 8002-72-0 | Allium fistulosum L. var. Maichuon, fam. Liliaceae | 0.09% |
| Scallion | Allium fistulosum L. var. Caespitosum, fam. Liliaceae | 0.01% |