Molecular formula
C13H24OS

SMILES
CC=CCSC(C(C)C)C(=O)CC(C)C

Fragrance
Floral	80.3%
Grapefruit	70.35%
Citrus	64.5%
Green	48.62%
Herbal	46.38%
Woody	45.27%
Spicy	39.98%
Fruity	38.3%
Rose	37.99%
Black currant	37.38%

 

Flavor
Sulfurous	32.01%
Green	25.75%
Onion	24.34%
Tropical	20.96%
Metallic	20.72%
Acrid	20.61%
Bloody	20.49%
Sulfury	20.22%
Cooked	20.06%
Glue	20.04%

 

Odor impact est.
Medium

XLogP3-AA
4.1

pKa est.
7.07 (neutral)

Molecular weight
228.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
270°C

Flash point

• 114.42 ˚C est.

• WLKZDPQWBVLBBS-UHFFFAOYSA-N
• 3-crotylthio-2,6-dimethyl-4-heptanone

3-Crotylthio-2,6-dimethyl-4-heptanone is typically encountered as a fragrance-related intermediate and odorant; in perfumery it can serve as a fragrance precursor or scent modifier, contributing notes derived from sulfur-containing ketone chemistry. It may also be used in cosmetics and personal care formulations as a fragrance ingredient and in household products as part of fragrance systems. In industrial manufacturing, it can be used as a chemical building block or intermediate in the synthesis of sulfur-containing ketones and related specialty compounds. It may also be evaluated for applications in polymers/plastics and coatings/inks as a reactive intermediate or odorant additive, depending on formulation and regulatory constraints. Its use is typically subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3832.57
methanol	2869.71
isopropanol	4441.22
water	1.04
ethyl acetate	3021.55
n-propanol	3923.96
acetone	5781.55
n-butanol	3786.27
acetonitrile	3734.17
DMF	4451.59
toluene	3559.43
isobutanol	3393.81
1,4-dioxane	5574.4
methyl acetate	2503.44
THF	8928.72
2-butanone	4055.63
n-pentanol	2555.74
sec-butanol	3964.39
n-hexane	1822.07
ethylene glycol	340.01
NMP	5058.28
cyclohexane	5065.79
DMSO	3446.11
n-butyl acetate	3206.36
n-octanol	1694.58
chloroform	11818.27
n-propyl acetate	2020.71
acetic acid	2890.4
dichloromethane	7761.31
cyclohexanone	9981.22
propylene glycol	882.26
isopropyl acetate	2037.82
DMAc	2790.31
2-ethoxyethanol	1597.97
isopentanol	3028.34
n-heptane	1225.64
ethyl formate	2032.22
1,2-dichloroethane	5142.66
n-hexanol	3605.83
2-methoxyethanol	2542.01
isobutyl acetate	1354.36
tetrachloromethane	2449.63
n-pentyl acetate	2144.23
transcutol	4372.73
n-heptanol	1456.04
ethylbenzene	1728.13
MIBK	2116.43
2-propoxyethanol	2641.59
tert-butanol	4202.49
MTBE	3746.81
2-butoxyethanol	1557.45
propionic acid	2341.03
o-xylene	1791.41
formic acid	525.35
diethyl ether	3926.16
m-xylene	2071.64
p-xylene	2321.75
chlorobenzene	4371.56
dimethyl carbonate	725.67
n-octane	415.4
formamide	712.72
cyclopentanone	7693.24
2-pentanone	4126.07
anisole	1887.12
cyclopentyl methyl ether	5147.06
gamma-butyrolactone	6016.68
1-methoxy-2-propanol	2380.78
pyridine	6416.83
3-pentanone	2759.4
furfural	4458.13
n-dodecane	218.82
diethylene glycol	1222.4
diisopropyl ether	1369.22
tert-amyl alcohol	3391.71
acetylacetone	2794.09
n-hexadecane	263.97
acetophenone	1876.4
methyl propionate	2046.02
isopentyl acetate	2707.78
trichloroethylene	9682.22
n-nonanol	1375.02
cyclohexanol	6341.55
benzyl alcohol	1829.09
2-ethylhexanol	2086.45
isooctanol	1153.03
dipropyl ether	2259.85
1,2-dichlorobenzene	3098.76
ethyl lactate	727.05
propylene carbonate	3560.86
n-methylformamide	1974.56
2-pentanol	3169.45
n-pentane	1711.2
1-propoxy-2-propanol	2172.89
1-methoxy-2-propyl acetate	1940.03
2-(2-methoxypropoxy) propanol	1165.59
mesitylene	1282.75
ε-caprolactone	5664.74
p-cymene	1064.46
epichlorohydrin	5793.11
1,1,1-trichloroethane	6706.45
2-aminoethanol	1019.79
morpholine-4-carbaldehyde	3753.55
sulfolane	5982.03
2,2,4-trimethylpentane	508.72
2-methyltetrahydrofuran	7617.48
n-hexyl acetate	3127.48
isooctane	399.14
2-(2-butoxyethoxy)ethanol	1690.15
sec-butyl acetate	1403.92
tert-butyl acetate	2113.95
decalin	920.59
glycerin	782.39
diglyme	2952.14
acrylic acid	1750.9
isopropyl myristate	1001.64
n-butyric acid	4016.92
acetyl acetate	1637.71
di(2-ethylhexyl) phthalate	789.82
ethyl propionate	1439.58
nitromethane	3628.6
1,2-diethoxyethane	2133.35
benzonitrile	3420.1
trioctyl phosphate	676.44
1-bromopropane	4453.24
gamma-valerolactone	6935.47
n-decanol	914.91
triethyl phosphate	686.86
4-methyl-2-pentanol	1406.01
propionitrile	3158.64
vinylene carbonate	3099.29
1,1,2-trichlorotrifluoroethane	3460.08
DMS	1327.08
cumene	974.13
2-octanol	1323.57
2-hexanone	2776.08
octyl acetate	1324.43
limonene	1934.58
1,2-dimethoxyethane	3044.56
ethyl orthosilicate	717.49
tributyl phosphate	794.63
diacetone alcohol	2000.08
N,N-dimethylaniline	1238.83
acrylonitrile	2808.74
aniline	3241.37
1,3-propanediol	1624.29
bromobenzene	4686.86
dibromomethane	6663.03
1,1,2,2-tetrachloroethane	8043.89
2-methyl-cyclohexyl acetate	1625.82
tetrabutyl urea	1066.59
diisobutyl methanol	1128.91
2-phenylethanol	1889.4
styrene	2144.65
dioctyl adipate	1215.33
dimethyl sulfate	1077.84
ethyl butyrate	1753.91
methyl lactate	873.73
butyl lactate	1386.54
diethyl carbonate	1036.8
propanediol butyl ether	1739.42
triethyl orthoformate	1199.64
p-tert-butyltoluene	994.21
methyl 4-tert-butylbenzoate	1438.99
morpholine	7004.36
tert-butylamine	3244.47
n-dodecanol	666.79
dimethoxymethane	2152.96
ethylene carbonate	2761.07
cyrene	1224.83
2-ethoxyethyl acetate	1840.21
2-ethylhexyl acetate	2222.7
1,2,4-trichlorobenzene	3544.83
4-methylpyridine	6783.76
dibutyl ether	2200.36
2,6-dimethyl-4-heptanol	1128.91
DEF	3143.33
dimethyl isosorbide	2136.78
tetrachloroethylene	5408.89
eugenol	1204.45
triacetin	1764.21
span 80	1501.54
1,4-butanediol	714.44
1,1-dichloroethane	6454.61
2-methyl-1-pentanol	2042.66
methyl formate	1575.93
2-methyl-1-butanol	3086.01
n-decane	480.77
butyronitrile	4469.62
3,7-dimethyl-1-octanol	1460.81
1-chlorooctane	1525.64
1-chlorotetradecane	524.3
n-nonane	553.27
undecane	301.98
tert-butylcyclohexane	689.58
cyclooctane	1207.95
cyclopentanol	5017.33
tetrahydropyran	10466.2
tert-amyl methyl ether	2564.0
2,5,8-trioxanonane	1692.29
1-hexene	3494.14
2-isopropoxyethanol	1262.4
2,2,2-trifluoroethanol	848.61
methyl butyrate	2302.55

Scent© AI