Molecular formula
C9H18O2S

SMILES
CC(=O)OCCCCCCCS

Fragrance
Fruity	85.58%
Sulfurous	55.19%
Tropical	48.78%
Citrus	44.49%
Meaty	40.97%
Grapefruit	39.82%
Fatty	33.52%
Black currant	32.32%
Grape	31.95%
Fresh	29.88%

 

Flavor
Fruity	57.69%
Tropical	46.46%
Floral	44.92%
Green	42.11%
Sweet	38.14%
Spicy	34.34%
Waxy	34.05%
Fresh	33.5%
Mushroom	30.8%
Herbal	30.2%

 

Odor impact est.
Medium

XLogP3-AA
2.8

pKa est.
7.5 (neutral)

Molecular weight
190.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
268°C

Flash point

• 97.78 ˚C est.

• SCHEMBL3248981

7-Sulfanylheptyl acetate is a thiol-containing ester commonly used as a reactive intermediate in organic synthesis. It serves as a functionalized building block for polymers and plastics, enabling thiol-ene crosslinking or acting as a crosslinker after deprotection. In coatings and inks, it can act as a reactive additive to enhance cure behavior and adhesion through thiol-epoxy or related chemistries. In adhesives, it functions as a thiol-based crosslinker or chain extender for epoxy or polyurethane systems. In pharmaceuticals and medicinal chemistry, it may be used as an intermediate to introduce thiol functionality in multi-step syntheses (often after protection/deprotection steps). In electronics and surface engineering, it can be employed as a surface modifier or linker for functionalized films and sensor interfaces. In cosmetics/personal care, it may be evaluated as a fragrance intermediate or reactive ingredient in formulation development.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1450.05
methanol	1878.14
isopropanol	1063.09
water	0.47
ethyl acetate	625.04
n-propanol	839.73
acetone	2279.97
n-butanol	632.75
acetonitrile	752.68
DMF	1915.41
toluene	260.91
isobutanol	560.89
1,4-dioxane	1341.9
methyl acetate	628.2
THF	2051.06
2-butanone	987.28
n-pentanol	468.84
sec-butanol	644.51
n-hexane	81.47
ethylene glycol	247.83
NMP	1258.05
cyclohexane	107.66
DMSO	3391.59
n-butyl acetate	453.71
n-octanol	168.34
chloroform	1354.36
n-propyl acetate	449.03
acetic acid	1305.75
dichloromethane	1139.95
cyclohexanone	1361.6
propylene glycol	399.58
isopropyl acetate	377.76
DMAc	1190.11
2-ethoxyethanol	790.77
isopentanol	518.95
n-heptane	30.92
ethyl formate	364.75
1,2-dichloroethane	865.12
n-hexanol	373.04
2-methoxyethanol	1392.12
isobutyl acetate	299.67
tetrachloromethane	182.76
n-pentyl acetate	290.16
transcutol	2531.12
n-heptanol	135.56
ethylbenzene	138.11
MIBK	393.78
2-propoxyethanol	644.9
tert-butanol	1096.96
MTBE	657.8
2-butoxyethanol	325.58
propionic acid	650.56
o-xylene	163.9
formic acid	382.94
diethyl ether	729.64
m-xylene	179.36
p-xylene	190.81
chlorobenzene	366.57
dimethyl carbonate	151.29
n-octane	12.5
formamide	528.26
cyclopentanone	1420.65
2-pentanone	735.81
anisole	339.36
cyclopentyl methyl ether	724.92
gamma-butyrolactone	1271.03
1-methoxy-2-propanol	898.86
pyridine	973.76
3-pentanone	462.76
furfural	970.79
n-dodecane	10.78
diethylene glycol	577.21
diisopropyl ether	145.25
tert-amyl alcohol	685.54
acetylacetone	858.32
n-hexadecane	12.68
acetophenone	350.43
methyl propionate	407.67
isopentyl acetate	368.81
trichloroethylene	1497.23
n-nonanol	143.23
cyclohexanol	643.14
benzyl alcohol	330.92
2-ethylhexanol	199.48
isooctanol	115.26
dipropyl ether	240.43
1,2-dichlorobenzene	313.96
ethyl lactate	184.9
propylene carbonate	538.06
n-methylformamide	685.99
2-pentanol	388.91
n-pentane	47.05
1-propoxy-2-propanol	459.46
1-methoxy-2-propyl acetate	407.21
2-(2-methoxypropoxy) propanol	381.97
mesitylene	110.31
ε-caprolactone	843.59
p-cymene	83.12
epichlorohydrin	1180.22
1,1,1-trichloroethane	756.75
2-aminoethanol	535.73
morpholine-4-carbaldehyde	1170.07
sulfolane	1583.1
2,2,4-trimethylpentane	24.65
2-methyltetrahydrofuran	1244.78
n-hexyl acetate	386.25
isooctane	19.04
2-(2-butoxyethoxy)ethanol	549.77
sec-butyl acetate	280.81
tert-butyl acetate	460.12
decalin	46.33
glycerin	509.24
diglyme	1036.83
acrylic acid	557.41
isopropyl myristate	128.55
n-butyric acid	782.23
acetyl acetate	395.0
di(2-ethylhexyl) phthalate	141.06
ethyl propionate	296.59
nitromethane	1691.05
1,2-diethoxyethane	593.6
benzonitrile	416.33
trioctyl phosphate	97.09
1-bromopropane	479.72
gamma-valerolactone	1499.99
n-decanol	100.1
triethyl phosphate	130.67
4-methyl-2-pentanol	194.59
propionitrile	455.67
vinylene carbonate	478.38
1,1,2-trichlorotrifluoroethane	977.58
DMS	307.67
cumene	90.04
2-octanol	107.25
2-hexanone	558.3
octyl acetate	163.12
limonene	141.6
1,2-dimethoxyethane	1239.36
ethyl orthosilicate	128.68
tributyl phosphate	134.51
diacetone alcohol	552.46
N,N-dimethylaniline	222.79
acrylonitrile	554.24
aniline	391.9
1,3-propanediol	706.54
bromobenzene	392.44
dibromomethane	788.54
1,1,2,2-tetrachloroethane	1297.02
2-methyl-cyclohexyl acetate	234.38
tetrabutyl urea	182.05
diisobutyl methanol	115.09
2-phenylethanol	268.97
styrene	211.33
dioctyl adipate	224.21
dimethyl sulfate	317.09
ethyl butyrate	259.21
methyl lactate	247.51
butyl lactate	262.9
diethyl carbonate	167.47
propanediol butyl ether	467.98
triethyl orthoformate	190.89
p-tert-butyltoluene	82.7
methyl 4-tert-butylbenzoate	256.56
morpholine	1786.66
tert-butylamine	537.15
n-dodecanol	73.88
dimethoxymethane	678.07
ethylene carbonate	407.65
cyrene	349.02
2-ethoxyethyl acetate	433.36
2-ethylhexyl acetate	285.4
1,2,4-trichlorobenzene	428.3
4-methylpyridine	813.42
dibutyl ether	250.65
2,6-dimethyl-4-heptanol	115.09
DEF	691.32
dimethyl isosorbide	544.74
tetrachloroethylene	819.76
eugenol	275.33
triacetin	428.99
span 80	354.16
1,4-butanediol	288.74
1,1-dichloroethane	865.64
2-methyl-1-pentanol	380.44
methyl formate	426.39
2-methyl-1-butanol	461.19
n-decane	19.85
butyronitrile	540.94
3,7-dimethyl-1-octanol	174.39
1-chlorooctane	101.33
1-chlorotetradecane	38.31
n-nonane	19.48
undecane	13.87
tert-butylcyclohexane	39.1
cyclooctane	26.08
cyclopentanol	740.0
tetrahydropyran	1460.56
tert-amyl methyl ether	395.5
2,5,8-trioxanonane	689.01
1-hexene	310.98
2-isopropoxyethanol	495.07
2,2,2-trifluoroethanol	281.28
methyl butyrate	466.27

Scent© AI