SMILES
CC(CCC=O)CCC(C)=O

Trái cây	47.92%
Tươi mát	42.1%
Béo	38.31%
Xanh	36.93%
Ngọt	36.01%
Hoa	34.81%
Đất	33.57%
Cam chanh	33.12%
Thảo mộc	32.42%
Aldehyde	31.91%

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pKa ước lượng
8.1 (kiềm yếu)

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Chậm

Nhiệt độ sôi ước lượng
243°C

Nhiệt độ chớp cháy ước lượng
93.84 ˚C

Dung môi	Độ tan (g/L)
ethanol	912.23
methanol	1288.45
isopropanol	697.97
water	4.09
ethyl acetate	349.82
n-propanol	546.26
acetone	646.51
n-butanol	453.27
acetonitrile	379.55
DMF	644.94
toluene	102.76
isobutanol	355.42
1,4-dioxane	587.5
methyl acetate	372.18
THF	703.13
2-butanone	412.42
n-pentanol	261.86
sec-butanol	376.11
n-hexane	12.01
ethylene glycol	252.24
NMP	374.94
cyclohexane	16.31
DMSO	549.08
n-butyl acetate	225.5
n-octanol	119.66
chloroform	637.69
n-propyl acetate	169.16
acetic acid	561.31
dichloromethane	473.36
cyclohexanone	489.12
propylene glycol	395.82
isopropyl acetate	213.06
DMAc	452.7
2-ethoxyethanol	402.65
isopentanol	335.61
n-heptane	10.36
ethyl formate	271.94
1,2-dichloroethane	271.8
n-hexanol	318.83
2-methoxyethanol	831.9
isobutyl acetate	130.11
tetrachloromethane	79.79
n-pentyl acetate	121.26
transcutol	969.16
n-heptanol	113.97
ethylbenzene	65.18
MIBK	182.98
2-propoxyethanol	520.9
tert-butanol	652.48
MTBE	254.64
2-butoxyethanol	227.29
propionic acid	446.63
o-xylene	84.0
formic acid	246.41
diethyl ether	180.47
m-xylene	98.01
p-xylene	88.7
chlorobenzene	172.73
dimethyl carbonate	77.35
n-octane	5.85
formamide	223.67
cyclopentanone	508.05
2-pentanone	294.3
anisole	179.0
cyclopentyl methyl ether	235.94
gamma-butyrolactone	545.91
1-methoxy-2-propanol	596.47
pyridine	356.16
3-pentanone	161.35
furfural	517.23
n-dodecane	6.63
diethylene glycol	445.36
diisopropyl ether	51.35
tert-amyl alcohol	360.12
acetylacetone	322.21
n-hexadecane	7.41
acetophenone	161.51
methyl propionate	233.17
isopentyl acetate	216.05
trichloroethylene	592.84
n-nonanol	97.61
cyclohexanol	295.06
benzyl alcohol	202.64
2-ethylhexanol	137.35
isooctanol	92.12
dipropyl ether	100.64
1,2-dichlorobenzene	149.57
ethyl lactate	115.88
propylene carbonate	291.38
n-methylformamide	389.34
2-pentanol	239.91
n-pentane	9.11
1-propoxy-2-propanol	329.2
1-methoxy-2-propyl acetate	255.68
2-(2-methoxypropoxy) propanol	218.7
mesitylene	58.79
ε-caprolactone	391.41
p-cymene	52.32
epichlorohydrin	529.77
1,1,1-trichloroethane	315.69
2-aminoethanol	453.79
morpholine-4-carbaldehyde	486.13
sulfolane	476.13
2,2,4-trimethylpentane	10.17
2-methyltetrahydrofuran	438.78
n-hexyl acetate	186.84
isooctane	10.29
2-(2-butoxyethoxy)ethanol	283.99
sec-butyl acetate	127.76
tert-butyl acetate	214.95
decalin	15.15
glycerin	425.97
diglyme	464.07
acrylic acid	344.98
isopropyl myristate	71.06
n-butyric acid	566.97
acetyl acetate	204.96
di(2-ethylhexyl) phthalate	84.7
ethyl propionate	143.26
nitromethane	609.53
1,2-diethoxyethane	229.76
benzonitrile	245.67
trioctyl phosphate	60.49
1-bromopropane	155.92
gamma-valerolactone	704.89
n-decanol	72.04
triethyl phosphate	69.59
4-methyl-2-pentanol	140.18
propionitrile	335.06
vinylene carbonate	294.74
1,1,2-trichlorotrifluoroethane	408.9
DMS	147.51
cumene	51.39
2-octanol	79.5
2-hexanone	194.37
octyl acetate	89.51
limonene	75.94
1,2-dimethoxyethane	483.03
ethyl orthosilicate	68.87
tributyl phosphate	74.76
diacetone alcohol	320.03
N,N-dimethylaniline	105.16
acrylonitrile	380.46
aniline	216.07
1,3-propanediol	573.0
bromobenzene	155.09
dibromomethane	288.95
1,1,2,2-tetrachloroethane	446.25
2-methyl-cyclohexyl acetate	125.79
tetrabutyl urea	92.8
diisobutyl methanol	85.22
2-phenylethanol	198.37
styrene	86.78
dioctyl adipate	110.3
dimethyl sulfate	121.67
ethyl butyrate	144.63
methyl lactate	180.26
butyl lactate	129.86
diethyl carbonate	100.9
propanediol butyl ether	269.88
triethyl orthoformate	101.83
p-tert-butyltoluene	54.05
methyl 4-tert-butylbenzoate	152.06
morpholine	656.07
tert-butylamine	290.23
n-dodecanol	54.47
dimethoxymethane	268.73
ethylene carbonate	238.73
cyrene	181.68
2-ethoxyethyl acetate	185.94
2-ethylhexyl acetate	141.84
1,2,4-trichlorobenzene	182.06
4-methylpyridine	371.53
dibutyl ether	95.32
2,6-dimethyl-4-heptanol	85.22
DEF	258.57
dimethyl isosorbide	314.76
tetrachloroethylene	288.42
eugenol	173.41
triacetin	201.6
span 80	197.06
1,4-butanediol	201.83
1,1-dichloroethane	401.73
2-methyl-1-pentanol	198.01
methyl formate	267.7
2-methyl-1-butanol	270.75
n-decane	10.47
butyronitrile	345.09
3,7-dimethyl-1-octanol	122.92
1-chlorooctane	53.19
1-chlorotetradecane	22.19
n-nonane	9.48
undecane	8.02
tert-butylcyclohexane	18.08
cyclooctane	5.76
cyclopentanol	357.04
tetrahydropyran	432.31
tert-amyl methyl ether	159.84
2,5,8-trioxanonane	319.62
1-hexene	74.13
2-isopropoxyethanol	273.03
2,2,2-trifluoroethanol	164.51
methyl butyrate	211.73

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