Molecular formula
C9H10OS

SMILES
CC1=CC=CC=C1OC(=S)C

Fragrance
Sulfurous	77.96%
Meaty	67.29%
Roasted	57.55%
Burnt	39.41%
Savory	37.04%
Cheesy	34.15%
Coffee	32.19%
Phenolic	30.43%
Cooked	30.23%
Tropical	29.14%

 

Flavor
Sweet	86.72%
Woody	52.24%
Floral	49.82%
Powdery	43.93%
Spicy	43.01%
Phenolic	38.97%
Spice	37.21%
Tobacco	35.23%
Herbal	34.9%
Clove	34.66%

 

Odor impact est.
Low

XLogP3-AA
2.2

pKa est.
11.37 (strong base)

Molecular weight
166.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
240°C

Flash point

• 76.01 ˚C est.

• methylphenyl thioacetate

Methylphenyl thioacetate is used as an odorant/fragrance ingredient in perfumery; may serve as a fragrance component in cosmetics and personal care; is employed in household products such as air fresheners and cleaners to impart scent; can act as an intermediate in organic synthesis in industrial manufacturing; and may be encountered as a specialty additive in coatings, inks, or polymer formulations to provide scent or control odor-release characteristics.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	458.22
methanol	378.93
isopropanol	427.61
water	4.67
ethyl acetate	1101.92
n-propanol	410.69
acetone	1942.54
n-butanol	380.7
acetonitrile	1140.57
DMF	1632.17
toluene	654.78
isobutanol	341.46
1,4-dioxane	1510.09
methyl acetate	1462.89
THF	1523.69
2-butanone	1457.72
n-pentanol	338.12
sec-butanol	453.55
n-hexane	141.43
ethylene glycol	158.01
NMP	1106.71
cyclohexane	219.24
DMSO	1395.0
n-butyl acetate	845.33
n-octanol	385.24
chloroform	3102.1
n-propyl acetate	830.64
acetic acid	500.98
dichloromethane	3559.98
cyclohexanone	1334.15
propylene glycol	169.75
isopropyl acetate	574.23
DMAc	1602.91
2-ethoxyethanol	574.8
isopentanol	323.82
n-heptane	170.62
ethyl formate	874.29
1,2-dichloroethane	1752.07
n-hexanol	442.58
2-methoxyethanol	667.78
isobutyl acetate	459.94
tetrachloromethane	507.87
n-pentyl acetate	470.67
transcutol	1089.75
n-heptanol	280.79
ethylbenzene	502.07
MIBK	490.22
2-propoxyethanol	653.45
tert-butanol	529.9
MTBE	657.3
2-butoxyethanol	423.27
propionic acid	506.98
o-xylene	497.27
formic acid	119.34
diethyl ether	734.68
m-xylene	462.75
p-xylene	670.21
chlorobenzene	852.13
dimethyl carbonate	537.78
n-octane	103.64
formamide	307.61
cyclopentanone	1555.78
2-pentanone	927.57
anisole	935.15
cyclopentyl methyl ether	681.15
gamma-butyrolactone	1513.29
1-methoxy-2-propanol	533.11
pyridine	1135.87
3-pentanone	913.24
furfural	1370.82
n-dodecane	98.74
diethylene glycol	467.0
diisopropyl ether	268.06
tert-amyl alcohol	486.2
acetylacetone	1187.99
n-hexadecane	109.27
acetophenone	848.89
methyl propionate	905.05
isopentyl acetate	601.22
trichloroethylene	2887.25
n-nonanol	323.56
cyclohexanol	418.09
benzyl alcohol	517.63
2-ethylhexanol	344.4
isooctanol	236.77
dipropyl ether	577.26
1,2-dichlorobenzene	800.09
ethyl lactate	340.69
propylene carbonate	892.46
n-methylformamide	677.92
2-pentanol	309.68
n-pentane	121.75
1-propoxy-2-propanol	513.51
1-methoxy-2-propyl acetate	612.81
2-(2-methoxypropoxy) propanol	476.88
mesitylene	306.88
ε-caprolactone	1061.01
p-cymene	321.7
epichlorohydrin	1773.25
1,1,1-trichloroethane	1729.04
2-aminoethanol	217.4
morpholine-4-carbaldehyde	1344.66
sulfolane	1458.1
2,2,4-trimethylpentane	76.46
2-methyltetrahydrofuran	1080.93
n-hexyl acetate	703.17
isooctane	57.46
2-(2-butoxyethoxy)ethanol	560.18
sec-butyl acetate	495.43
tert-butyl acetate	552.34
decalin	137.42
glycerin	219.67
diglyme	1167.66
acrylic acid	466.95
isopropyl myristate	340.15
n-butyric acid	520.3
acetyl acetate	730.1
di(2-ethylhexyl) phthalate	257.53
ethyl propionate	751.53
nitromethane	1325.9
1,2-diethoxyethane	774.32
benzonitrile	816.91
trioctyl phosphate	208.43
1-bromopropane	964.36
gamma-valerolactone	1409.42
n-decanol	266.23
triethyl phosphate	320.33
4-methyl-2-pentanol	193.11
propionitrile	701.59
vinylene carbonate	951.71
1,1,2-trichlorotrifluoroethane	829.71
DMS	699.34
cumene	331.37
2-octanol	256.3
2-hexanone	801.47
octyl acetate	414.19
limonene	384.45
1,2-dimethoxyethane	1424.17
ethyl orthosilicate	291.77
tributyl phosphate	268.87
diacetone alcohol	484.25
N,N-dimethylaniline	585.71
acrylonitrile	919.53
aniline	491.7
1,3-propanediol	299.17
bromobenzene	1011.86
dibromomethane	2199.51
1,1,2,2-tetrachloroethane	2027.43
2-methyl-cyclohexyl acetate	466.43
tetrabutyl urea	350.64
diisobutyl methanol	220.87
2-phenylethanol	497.85
styrene	619.78
dioctyl adipate	429.17
dimethyl sulfate	711.08
ethyl butyrate	765.21
methyl lactate	341.85
butyl lactate	318.62
diethyl carbonate	569.24
propanediol butyl ether	382.1
triethyl orthoformate	432.05
p-tert-butyltoluene	297.21
methyl 4-tert-butylbenzoate	514.46
morpholine	1079.32
tert-butylamine	345.35
n-dodecanol	227.22
dimethoxymethane	966.97
ethylene carbonate	774.47
cyrene	458.19
2-ethoxyethyl acetate	622.25
2-ethylhexyl acetate	523.01
1,2,4-trichlorobenzene	879.35
4-methylpyridine	1163.9
dibutyl ether	569.39
2,6-dimethyl-4-heptanol	220.87
DEF	1016.61
dimethyl isosorbide	735.69
tetrachloroethylene	1212.15
eugenol	515.78
triacetin	674.65
span 80	402.16
1,4-butanediol	209.08
1,1-dichloroethane	1823.86
2-methyl-1-pentanol	312.01
methyl formate	796.01
2-methyl-1-butanol	329.61
n-decane	143.39
butyronitrile	707.86
3,7-dimethyl-1-octanol	340.38
1-chlorooctane	405.32
1-chlorotetradecane	198.69
n-nonane	153.27
undecane	115.61
tert-butylcyclohexane	120.94
cyclooctane	96.61
cyclopentanol	475.62
tetrahydropyran	1028.56
tert-amyl methyl ether	517.07
2,5,8-trioxanonane	829.81
1-hexene	380.43
2-isopropoxyethanol	466.18
2,2,2-trifluoroethanol	268.36
methyl butyrate	976.7

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