Molecular formula
C11H14O2S

SMILES
CCOC(=O)CC(C1=CC=CC=C1)S

Fragrance
Fruity	74.1%
Floral	57.54%
Sulfurous	52.21%
Tropical	43.73%
Grape	40.08%
Sweet	38.04%
Spicy	29.69%
Honey	28.01%
Grapefruit	27.65%
Strawberry	27.03%

 

Flavor
Fruity	64.8%
Floral	58.96%
Sweet	50.94%
Tropical	34.5%
Grape	34.4%
Mild	32.68%
Bitter	29.22%
Honey	26.28%
Berry	26.25%
Wine	26.22%

 

Odor impact est.
High

XLogP3-AA
2.2

pKa est.
5.95 (weak acid)

Molecular weight
210.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
279°C

Flash point

• 125.7 ˚C est.

• SCHEMBL3071397

Ethyl 3-phenyl-3-sulfanylpropanoate is used as a chemical intermediate in the synthesis of sulfur-containing compounds and as an odorant/fragrance ingredient for perfumery and personal care; it may serve as a precursor for polymer, plastic, coating, ink, and adhesive formulations via thiol-ene and related sulfur chemistries; it is evaluated for use in household cleaning products with specific scent profiles; and it can function as an industrial manufacturing building block in the broader chemical industry.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	288.38
methanol	403.92
isopropanol	149.31
water	0.84
ethyl acetate	206.9
n-propanol	171.2
acetone	600.39
n-butanol	133.7
acetonitrile	326.57
DMF	1133.07
toluene	86.09
isobutanol	98.95
1,4-dioxane	633.92
methyl acetate	261.14
THF	505.05
2-butanone	276.86
n-pentanol	111.13
sec-butanol	103.19
n-hexane	3.85
ethylene glycol	114.76
NMP	639.86
cyclohexane	8.78
DMSO	1327.44
n-butyl acetate	131.68
n-octanol	38.48
chloroform	774.7
n-propyl acetate	129.97
acetic acid	409.84
dichloromethane	756.37
cyclohexanone	368.6
propylene glycol	103.67
isopropyl acetate	106.24
DMAc	850.89
2-ethoxyethanol	248.7
isopentanol	103.69
n-heptane	2.78
ethyl formate	126.54
1,2-dichloroethane	520.68
n-hexanol	81.86
2-methoxyethanol	439.45
isobutyl acetate	86.48
tetrachloromethane	39.89
n-pentyl acetate	70.6
transcutol	1040.97
n-heptanol	34.4
ethylbenzene	48.11
MIBK	107.63
2-propoxyethanol	190.16
tert-butanol	179.54
MTBE	125.81
2-butoxyethanol	101.65
propionic acid	180.44
o-xylene	50.19
formic acid	167.11
diethyl ether	163.47
m-xylene	54.25
p-xylene	60.92
chlorobenzene	183.9
dimethyl carbonate	114.65
n-octane	1.71
formamide	306.69
cyclopentanone	467.19
2-pentanone	182.6
anisole	163.4
cyclopentyl methyl ether	154.8
gamma-butyrolactone	491.12
1-methoxy-2-propanol	243.02
pyridine	415.54
3-pentanone	141.74
furfural	434.03
n-dodecane	2.68
diethylene glycol	231.64
diisopropyl ether	30.21
tert-amyl alcohol	115.85
acetylacetone	288.74
n-hexadecane	3.13
acetophenone	157.8
methyl propionate	173.1
isopentyl acetate	114.5
trichloroethylene	976.43
n-nonanol	36.39
cyclohexanol	112.42
benzyl alcohol	139.37
2-ethylhexanol	47.51
isooctanol	29.83
dipropyl ether	51.61
1,2-dichlorobenzene	163.58
ethyl lactate	74.93
propylene carbonate	217.36
n-methylformamide	315.76
2-pentanol	64.87
n-pentane	2.58
1-propoxy-2-propanol	118.86
1-methoxy-2-propyl acetate	152.46
2-(2-methoxypropoxy) propanol	147.88
mesitylene	31.19
ε-caprolactone	265.0
p-cymene	28.12
epichlorohydrin	581.7
1,1,1-trichloroethane	261.98
2-aminoethanol	163.11
morpholine-4-carbaldehyde	584.07
sulfolane	576.73
2,2,4-trimethylpentane	3.91
2-methyltetrahydrofuran	280.77
n-hexyl acetate	109.13
isooctane	2.9
2-(2-butoxyethoxy)ethanol	199.35
sec-butyl acetate	82.91
tert-butyl acetate	122.25
decalin	8.37
glycerin	172.88
diglyme	410.24
acrylic acid	208.47
isopropyl myristate	43.41
n-butyric acid	182.23
acetyl acetate	155.19
di(2-ethylhexyl) phthalate	56.42
ethyl propionate	102.98
nitromethane	784.79
1,2-diethoxyethane	196.19
benzonitrile	163.01
trioctyl phosphate	35.38
1-bromopropane	153.8
gamma-valerolactone	571.01
n-decanol	27.86
triethyl phosphate	58.96
4-methyl-2-pentanol	40.14
propionitrile	150.32
vinylene carbonate	227.07
1,1,2-trichlorotrifluoroethane	398.24
DMS	150.05
cumene	32.44
2-octanol	23.97
2-hexanone	131.71
octyl acetate	53.91
limonene	39.34
1,2-dimethoxyethane	423.08
ethyl orthosilicate	53.63
tributyl phosphate	50.54
diacetone alcohol	157.13
N,N-dimethylaniline	99.55
acrylonitrile	233.26
aniline	147.03
1,3-propanediol	194.05
bromobenzene	178.55
dibromomethane	406.05
1,1,2,2-tetrachloroethane	649.84
2-methyl-cyclohexyl acetate	84.37
tetrabutyl urea	68.98
diisobutyl methanol	30.07
2-phenylethanol	102.09
styrene	75.22
dioctyl adipate	79.45
dimethyl sulfate	232.45
ethyl butyrate	87.65
methyl lactate	112.56
butyl lactate	72.02
diethyl carbonate	76.89
propanediol butyl ether	117.7
triethyl orthoformate	69.66
p-tert-butyltoluene	27.37
methyl 4-tert-butylbenzoate	106.27
morpholine	597.33
tert-butylamine	79.1
n-dodecanol	22.43
dimethoxymethane	356.68
ethylene carbonate	177.07
cyrene	160.19
2-ethoxyethyl acetate	145.72
2-ethylhexyl acetate	88.84
1,2,4-trichlorobenzene	219.06
4-methylpyridine	330.35
dibutyl ether	55.77
2,6-dimethyl-4-heptanol	30.07
DEF	263.22
dimethyl isosorbide	219.03
tetrachloroethylene	356.82
eugenol	120.16
triacetin	146.31
span 80	106.7
1,4-butanediol	82.08
1,1-dichloroethane	361.65
2-methyl-1-pentanol	94.03
methyl formate	230.98
2-methyl-1-butanol	97.54
n-decane	3.72
butyronitrile	139.15
3,7-dimethyl-1-octanol	42.17
1-chlorooctane	25.48
1-chlorotetradecane	12.08
n-nonane	2.97
undecane	3.1
tert-butylcyclohexane	7.05
cyclooctane	2.22
cyclopentanol	125.99
tetrahydropyran	340.11
tert-amyl methyl ether	85.22
2,5,8-trioxanonane	283.45
1-hexene	31.98
2-isopropoxyethanol	152.67
2,2,2-trifluoroethanol	123.28
methyl butyrate	144.66

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