Molecular formula
C10H18O3S

SMILES
CC(=O)OCCCCCCSC(=O)C

Fragrance
Fruity	82.96%
Sulfurous	73.4%
Tropical	64.8%
Meaty	43.12%
Sweet	37.64%
Onion	37.04%
Green	36.92%
Black currant	36.34%
Grapefruit	34.85%
Fresh	32.21%

 

Flavor
Fruity	65.87%
Tropical	48.4%
Sulfury	41.92%
Green	37.54%
Floral	34.77%
Pineapple	31.99%
Vegetable	31.12%
Spicy	30.5%
Sulfurous	29.59%
Cheese	28.61%

 

Odor impact est.
Medium

XLogP3-AA
2.0

pKa est.
8.13 (weak base)

Molecular weight
218.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
292°C

Flash point

• 126.72 ˚C est.

6-Acetylsulfanylhexyl acetate is used as an intermediate and odorant in fragrance chemistry; in practice it serves as a fragrance ingredient in perfumes and cosmetics; it acts as a scent additive in household products such as cleaners and air fresheners; it is a precursor in the synthesis of sulfur-containing compounds for the chemical industry; and it may be employed as a fragrance additive in coatings, paints, and printed materials to impart or release a scent.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	228.96
methanol	307.04
isopropanol	157.58
water	0.35
ethyl acetate	201.98
n-propanol	144.27
acetone	387.26
n-butanol	126.78
acetonitrile	196.82
DMF	710.03
toluene	110.09
isobutanol	100.09
1,4-dioxane	511.3
methyl acetate	209.07
THF	698.45
2-butanone	269.45
n-pentanol	113.27
sec-butanol	134.53
n-hexane	9.13
ethylene glycol	50.23
NMP	672.38
cyclohexane	20.46
DMSO	1016.14
n-butyl acetate	146.21
n-octanol	55.7
chloroform	622.54
n-propyl acetate	153.67
acetic acid	326.93
dichloromethane	532.63
cyclohexanone	493.76
propylene glycol	92.94
isopropyl acetate	134.11
DMAc	656.02
2-ethoxyethanol	317.25
isopentanol	119.57
n-heptane	5.09
ethyl formate	139.66
1,2-dichloroethane	320.6
n-hexanol	92.07
2-methoxyethanol	471.22
isobutyl acetate	103.12
tetrachloromethane	52.4
n-pentyl acetate	99.25
transcutol	1140.02
n-heptanol	39.1
ethylbenzene	67.48
MIBK	138.08
2-propoxyethanol	246.75
tert-butanol	226.41
MTBE	162.33
2-butoxyethanol	127.28
propionic acid	184.45
o-xylene	85.33
formic acid	119.84
diethyl ether	151.16
m-xylene	82.16
p-xylene	88.13
chlorobenzene	178.58
dimethyl carbonate	63.74
n-octane	2.83
formamide	196.78
cyclopentanone	559.01
2-pentanone	210.45
anisole	199.91
cyclopentyl methyl ether	252.2
gamma-butyrolactone	558.18
1-methoxy-2-propanol	319.49
pyridine	365.78
3-pentanone	149.72
furfural	580.49
n-dodecane	3.32
diethylene glycol	229.06
diisopropyl ether	38.22
tert-amyl alcohol	185.34
acetylacetone	313.97
n-hexadecane	3.95
acetophenone	212.97
methyl propionate	147.67
isopentyl acetate	140.28
trichloroethylene	690.77
n-nonanol	50.52
cyclohexanol	170.81
benzyl alcohol	163.43
2-ethylhexanol	63.41
isooctanol	36.89
dipropyl ether	64.75
1,2-dichlorobenzene	186.77
ethyl lactate	83.2
propylene carbonate	275.33
n-methylformamide	235.39
2-pentanol	80.35
n-pentane	5.38
1-propoxy-2-propanol	171.95
1-methoxy-2-propyl acetate	192.57
2-(2-methoxypropoxy) propanol	212.83
mesitylene	48.51
ε-caprolactone	392.71
p-cymene	38.69
epichlorohydrin	594.23
1,1,1-trichloroethane	276.36
2-aminoethanol	128.86
morpholine-4-carbaldehyde	690.48
sulfolane	792.42
2,2,4-trimethylpentane	6.33
2-methyltetrahydrofuran	428.83
n-hexyl acetate	159.57
isooctane	4.38
2-(2-butoxyethoxy)ethanol	281.41
sec-butyl acetate	112.04
tert-butyl acetate	173.88
decalin	15.69
glycerin	163.95
diglyme	511.25
acrylic acid	162.01
isopropyl myristate	57.58
n-butyric acid	226.71
acetyl acetate	154.61
di(2-ethylhexyl) phthalate	74.96
ethyl propionate	121.23
nitromethane	587.52
1,2-diethoxyethane	250.17
benzonitrile	201.86
trioctyl phosphate	42.82
1-bromopropane	150.12
gamma-valerolactone	753.07
n-decanol	36.51
triethyl phosphate	74.13
4-methyl-2-pentanol	52.69
propionitrile	134.54
vinylene carbonate	258.8
1,1,2-trichlorotrifluoroethane	442.75
DMS	157.22
cumene	44.91
2-octanol	31.45
2-hexanone	177.02
octyl acetate	73.22
limonene	61.6
1,2-dimethoxyethane	517.43
ethyl orthosilicate	69.68
tributyl phosphate	65.52
diacetone alcohol	225.66
N,N-dimethylaniline	134.56
acrylonitrile	181.94
aniline	170.72
1,3-propanediol	179.73
bromobenzene	184.9
dibromomethane	316.8
1,1,2,2-tetrachloroethane	586.38
2-methyl-cyclohexyl acetate	121.3
tetrabutyl urea	93.15
diisobutyl methanol	39.48
2-phenylethanol	128.27
styrene	98.0
dioctyl adipate	115.08
dimethyl sulfate	157.04
ethyl butyrate	107.25
methyl lactate	106.88
butyl lactate	103.9
diethyl carbonate	79.16
propanediol butyl ether	179.12
triethyl orthoformate	88.42
p-tert-butyltoluene	38.5
methyl 4-tert-butylbenzoate	149.06
morpholine	652.62
tert-butylamine	108.04
n-dodecanol	27.83
dimethoxymethane	260.28
ethylene carbonate	196.75
cyrene	227.98
2-ethoxyethyl acetate	187.24
2-ethylhexyl acetate	110.82
1,2,4-trichlorobenzene	259.52
4-methylpyridine	395.28
dibutyl ether	81.14
2,6-dimethyl-4-heptanol	39.48
DEF	290.92
dimethyl isosorbide	344.64
tetrachloroethylene	317.38
eugenol	154.39
triacetin	223.88
span 80	180.44
1,4-butanediol	78.56
1,1-dichloroethane	294.0
2-methyl-1-pentanol	116.13
methyl formate	152.95
2-methyl-1-butanol	110.79
n-decane	5.74
butyronitrile	160.13
3,7-dimethyl-1-octanol	67.79
1-chlorooctane	35.99
1-chlorotetradecane	13.92
n-nonane	5.13
undecane	4.13
tert-butylcyclohexane	12.36
cyclooctane	5.96
cyclopentanol	188.71
tetrahydropyran	392.71
tert-amyl methyl ether	136.91
2,5,8-trioxanonane	380.73
1-hexene	52.76
2-isopropoxyethanol	195.74
2,2,2-trifluoroethanol	98.75
methyl butyrate	181.29

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