Công thức phân tử
C7H14O2S

SMILES
CCCC(CS)OC(=O)C

Hương thơm
Trái cây	85.4%
Nhiệt đới	69.58%
Lưu huỳnh	65.06%
Xanh	59.98%
Bưởi	43.04%
Lý chua đen	41.46%
Thịt	38.4%
Nho	33.16%
Rang cháy	31.6%
Phô mai	30.0%

 

Hương vị
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%

 

Cường độ mùi ước lượng
Mạnh

XLogP3-AA
1.7

pKa ước lượng
7.17 (trung tính)

Khối lượng phân tử
162.25 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Tương đối nhanh

Điểm sôi ước lượng
203°C

Điểm chớp cháy

• 73.83 ˚C ước lượng

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

1-Mercaptopentyl-2-acetate là một este chứa nhóm mercapto, thường được xem là chất trung gian tổng hợp và có thể ứng dụng rộng rãi trong công nghiệp như thành phần hương liệu và tiền chất cho ngành nước hoa và mỹ phẩm, chất trung gian cho các phản ứng thiol-ene và tổng hợp polymer, và cũng có thể được dùng như phụ gia phản ứng trong sơn và lớp phủ, cũng như trong mực in, tùy thuộc vào quy định và giới hạn công thức.

gpt-5-nano

Dung môi	Độ tan (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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