Molecular formula
C7H14O2S

SMILES
CCCC(CS)OC(=O)C

Fragrance
Fruity	85.4%
Tropical	69.58%
Sulfurous	65.06%
Green	59.98%
Grapefruit	43.04%
Black currant	41.46%
Meaty	38.4%
Grape	33.16%
Roasted	31.6%
Cheesy	30.0%

 

Flavor
Fruity	55.38%
Tropical	40.82%
Sulfury	29.17%
Cheese	27.77%
Sulfurous	27.69%
Herbal	26.88%
Oily	25.16%
Ripe	24.91%
Onion	24.27%
Box tree	24.2%

 

Odor impact est.
High

XLogP3-AA
1.7

pKa est.
7.17 (neutral)

Molecular weight
162.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
203°C

Flash point

• 73.83 ˚C est.

• 1-Mercaptopentyl-2-acetate
• AYVKTHMRZAYNPJ-UHFFFAOYSA-N

1-Mercaptopentyl-2-acetate can function as a fragrance intermediate and odorant in perfumery; may be used as a precursor in cosmetics and personal care formulations; serves as a reactive intermediate in organic synthesis, enabling thiol-ene chemistry and related sulfur-containing routes; can act as a crosslinking or functional monomer in polymer and coating formulations; and may be considered for use in coatings and inks subject to applicable regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	596.86
methanol	1059.16
isopropanol	439.42
water	6.03
ethyl acetate	187.02
n-propanol	412.75
acetone	577.33
n-butanol	341.45
acetonitrile	365.19
DMF	974.09
toluene	120.44
isobutanol	291.65
1,4-dioxane	569.43
methyl acetate	270.22
THF	695.79
2-butanone	309.46
n-pentanol	251.37
sec-butanol	334.03
n-hexane	29.22
ethylene glycol	241.09
NMP	766.82
cyclohexane	56.05
DMSO	1077.29
n-butyl acetate	159.37
n-octanol	153.44
chloroform	755.09
n-propyl acetate	144.84
acetic acid	635.84
dichloromethane	710.97
cyclohexanone	530.66
propylene glycol	268.48
isopropyl acetate	122.75
DMAc	694.64
2-ethoxyethanol	336.63
isopentanol	241.84
n-heptane	22.07
ethyl formate	211.96
1,2-dichloroethane	355.19
n-hexanol	238.78
2-methoxyethanol	644.27
isobutyl acetate	102.35
tetrachloromethane	86.39
n-pentyl acetate	134.21
transcutol	688.11
n-heptanol	108.53
ethylbenzene	84.42
MIBK	141.27
2-propoxyethanol	369.84
tert-butanol	425.93
MTBE	221.03
2-butoxyethanol	185.98
propionic acid	327.81
o-xylene	105.14
formic acid	223.15
diethyl ether	188.92
m-xylene	98.42
p-xylene	120.08
chlorobenzene	204.82
dimethyl carbonate	88.08
n-octane	12.3
formamide	246.39
cyclopentanone	576.82
2-pentanone	224.44
anisole	182.64
cyclopentyl methyl ether	238.62
gamma-butyrolactone	607.97
1-methoxy-2-propanol	430.28
pyridine	383.51
3-pentanone	169.34
furfural	554.02
n-dodecane	15.23
diethylene glycol	363.54
diisopropyl ether	52.64
tert-amyl alcohol	306.05
acetylacetone	296.59
n-hexadecane	16.79
acetophenone	198.39
methyl propionate	177.19
isopentyl acetate	150.2
trichloroethylene	657.05
n-nonanol	127.0
cyclohexanol	324.17
benzyl alcohol	205.57
2-ethylhexanol	127.93
isooctanol	90.16
dipropyl ether	101.88
1,2-dichlorobenzene	199.64
ethyl lactate	108.67
propylene carbonate	298.36
n-methylformamide	389.3
2-pentanol	191.49
n-pentane	31.16
1-propoxy-2-propanol	231.92
1-methoxy-2-propyl acetate	171.97
2-(2-methoxypropoxy) propanol	226.29
mesitylene	65.43
ε-caprolactone	383.62
p-cymene	63.66
epichlorohydrin	521.31
1,1,1-trichloroethane	309.17
2-aminoethanol	345.0
morpholine-4-carbaldehyde	664.65
sulfolane	782.27
2,2,4-trimethylpentane	18.47
2-methyltetrahydrofuran	429.68
n-hexyl acetate	217.84
isooctane	13.08
2-(2-butoxyethoxy)ethanol	290.1
sec-butyl acetate	91.85
tert-butyl acetate	147.77
decalin	29.67
glycerin	347.73
diglyme	469.69
acrylic acid	320.11
isopropyl myristate	93.25
n-butyric acid	318.6
acetyl acetate	154.59
di(2-ethylhexyl) phthalate	110.55
ethyl propionate	119.2
nitromethane	694.18
1,2-diethoxyethane	191.32
benzonitrile	263.85
trioctyl phosphate	83.93
1-bromopropane	204.19
gamma-valerolactone	668.68
n-decanol	96.09
triethyl phosphate	80.53
4-methyl-2-pentanol	101.15
propionitrile	256.17
vinylene carbonate	303.3
1,1,2-trichlorotrifluoroethane	425.59
DMS	163.52
cumene	66.04
2-octanol	91.22
2-hexanone	183.17
octyl acetate	121.93
limonene	99.77
1,2-dimethoxyethane	538.3
ethyl orthosilicate	73.13
tributyl phosphate	95.6
diacetone alcohol	220.72
N,N-dimethylaniline	144.22
acrylonitrile	317.23
aniline	182.42
1,3-propanediol	389.58
bromobenzene	205.83
dibromomethane	444.09
1,1,2,2-tetrachloroethane	521.09
2-methyl-cyclohexyl acetate	135.62
tetrabutyl urea	133.7
diisobutyl methanol	71.02
2-phenylethanol	177.04
styrene	109.27
dioctyl adipate	143.94
dimethyl sulfate	191.22
ethyl butyrate	122.88
methyl lactate	155.35
butyl lactate	130.99
diethyl carbonate	96.24
propanediol butyl ether	249.72
triethyl orthoformate	92.53
p-tert-butyltoluene	59.7
methyl 4-tert-butylbenzoate	178.29
morpholine	592.03
tert-butylamine	239.57
n-dodecanol	75.79
dimethoxymethane	344.48
ethylene carbonate	225.64
cyrene	230.05
2-ethoxyethyl acetate	175.7
2-ethylhexyl acetate	114.21
1,2,4-trichlorobenzene	250.59
4-methylpyridine	379.68
dibutyl ether	119.88
2,6-dimethyl-4-heptanol	71.02
DEF	289.31
dimethyl isosorbide	331.95
tetrachloroethylene	333.2
eugenol	195.46
triacetin	220.21
span 80	223.89
1,4-butanediol	192.93
1,1-dichloroethane	362.83
2-methyl-1-pentanol	205.29
methyl formate	315.59
2-methyl-1-butanol	246.7
n-decane	21.94
butyronitrile	251.19
3,7-dimethyl-1-octanol	138.13
1-chlorooctane	83.65
1-chlorotetradecane	40.29
n-nonane	21.04
undecane	17.56
tert-butylcyclohexane	26.82
cyclooctane	15.28
cyclopentanol	379.02
tetrahydropyran	446.73
tert-amyl methyl ether	160.23
2,5,8-trioxanonane	368.36
1-hexene	113.05
2-isopropoxyethanol	216.33
2,2,2-trifluoroethanol	166.54
methyl butyrate	185.34

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