SMILES
COC(=O)C1=CC=CN(C1)C=C

Hương thơm
Xanh	42.74%
Hạt	37.13%
Hăng	31.69%
Rang cháy	28.54%
Cay	27.19%
Ngọt	25.49%
Cháy	24.39%
Caramel	21.81%
Bắp rang	21.7%
Thảo mộc	21.25%

 

Hương vị
Bitter	37.92%
Taco	20.9%
Extremely sweet	20.35%
Nitrile	20.11%
Basil	20.05%
Seedy	20.05%
Lovage	20.03%
Cotton candy	19.99%
Fenugreek	19.8%
Maple syrup	19.65%

 

Cường độ mùi ước lượng
Trung bình

pKa ước lượng
5.67 (axit yếu)

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Tương đối chậm

Điểm sôi ước lượng
227°C

Điểm chớp cháy

• 121.05 ˚C ước lượng

Dung môi	Độ tan (g/L)
ethanol	34.19
methanol	54.8
isopropanol	20.82
water	1.09
ethyl acetate	42.02
n-propanol	25.65
acetone	37.46
n-butanol	23.75
acetonitrile	40.12
DMF	110.49
toluene	45.48
isobutanol	20.73
1,4-dioxane	84.35
methyl acetate	46.84
THF	76.53
2-butanone	43.15
n-pentanol	20.72
sec-butanol	20.14
n-hexane	0.7
ethylene glycol	20.14
NMP	111.9
cyclohexane	3.0
DMSO	91.96
n-butyl acetate	23.51
n-octanol	9.36
chloroform	149.7
n-propyl acetate	25.29
acetic acid	88.32
dichloromethane	156.21
cyclohexanone	72.16
propylene glycol	13.89
isopropyl acetate	22.87
DMAc	138.92
2-ethoxyethanol	45.38
isopentanol	24.93
n-heptane	1.01
ethyl formate	43.5
1,2-dichloroethane	79.31
n-hexanol	21.22
2-methoxyethanol	73.98
isobutyl acetate	17.24
tetrachloromethane	16.98
n-pentyl acetate	13.66
transcutol	121.7
n-heptanol	11.79
ethylbenzene	17.21
MIBK	22.82
2-propoxyethanol	45.31
tert-butanol	35.9
MTBE	19.9
2-butoxyethanol	29.76
propionic acid	41.09
o-xylene	31.72
formic acid	62.36
diethyl ether	18.61
m-xylene	28.94
p-xylene	23.91
chlorobenzene	53.41
dimethyl carbonate	27.28
n-octane	0.56
formamide	77.58
cyclopentanone	75.36
2-pentanone	28.01
anisole	39.1
cyclopentyl methyl ether	32.22
gamma-butyrolactone	92.97
1-methoxy-2-propanol	43.65
pyridine	108.53
3-pentanone	27.61
furfural	126.63
n-dodecane	0.77
diethylene glycol	53.07
diisopropyl ether	6.47
tert-amyl alcohol	27.95
acetylacetone	39.76
n-hexadecane	0.92
acetophenone	45.59
methyl propionate	39.46
isopentyl acetate	24.28
trichloroethylene	189.41
n-nonanol	9.49
cyclohexanol	28.82
benzyl alcohol	45.74
2-ethylhexanol	15.53
isooctanol	10.98
dipropyl ether	11.21
1,2-dichlorobenzene	48.49
ethyl lactate	21.3
propylene carbonate	59.53
n-methylformamide	61.24
2-pentanol	13.12
n-pentane	1.03
1-propoxy-2-propanol	26.8
1-methoxy-2-propyl acetate	32.04
2-(2-methoxypropoxy) propanol	37.48
mesitylene	16.01
ε-caprolactone	58.4
p-cymene	11.8
epichlorohydrin	113.3
1,1,1-trichloroethane	60.09
2-aminoethanol	28.84
morpholine-4-carbaldehyde	105.11
sulfolane	107.31
2,2,4-trimethylpentane	1.69
2-methyltetrahydrofuran	55.0
n-hexyl acetate	20.23
isooctane	1.15
2-(2-butoxyethoxy)ethanol	43.06
sec-butyl acetate	18.35
tert-butyl acetate	24.73
decalin	2.69
glycerin	34.3
diglyme	77.12
acrylic acid	48.94
isopropyl myristate	10.14
n-butyric acid	50.27
acetyl acetate	36.71
di(2-ethylhexyl) phthalate	18.69
ethyl propionate	25.63
nitromethane	101.72
1,2-diethoxyethane	26.78
benzonitrile	50.13
trioctyl phosphate	10.43
1-bromopropane	29.68
gamma-valerolactone	96.88
n-decanol	7.67
triethyl phosphate	18.48
4-methyl-2-pentanol	11.7
propionitrile	37.79
vinylene carbonate	69.37
1,1,2-trichlorotrifluoroethane	98.51
DMS	29.07
cumene	13.22
2-octanol	6.46
2-hexanone	22.42
octyl acetate	12.92
limonene	15.07
1,2-dimethoxyethane	65.35
ethyl orthosilicate	16.9
tributyl phosphate	12.5
diacetone alcohol	34.73
N,N-dimethylaniline	31.82
acrylonitrile	57.8
aniline	59.38
1,3-propanediol	37.26
bromobenzene	51.48
dibromomethane	82.67
1,1,2,2-tetrachloroethane	126.19
2-methyl-cyclohexyl acetate	26.06
tetrabutyl urea	19.05
diisobutyl methanol	10.0
2-phenylethanol	37.07
styrene	22.03
dioctyl adipate	19.45
dimethyl sulfate	46.26
ethyl butyrate	23.82
methyl lactate	30.77
butyl lactate	16.75
diethyl carbonate	21.37
propanediol butyl ether	24.53
triethyl orthoformate	19.86
p-tert-butyltoluene	10.85
methyl 4-tert-butylbenzoate	33.61
morpholine	79.94
tert-butylamine	18.55
n-dodecanol	6.23
dimethoxymethane	53.75
ethylene carbonate	49.88
cyrene	51.87
2-ethoxyethyl acetate	25.27
2-ethylhexyl acetate	19.35
1,2,4-trichlorobenzene	60.94
4-methylpyridine	83.15
dibutyl ether	9.1
2,6-dimethyl-4-heptanol	10.0
DEF	47.44
dimethyl isosorbide	63.32
tetrachloroethylene	84.97
eugenol	37.84
triacetin	30.53
span 80	26.89
1,4-butanediol	16.85
1,1-dichloroethane	62.31
2-methyl-1-pentanol	24.03
methyl formate	54.52
2-methyl-1-butanol	22.98
n-decane	1.02
butyronitrile	35.92
3,7-dimethyl-1-octanol	12.63
1-chlorooctane	5.66
1-chlorotetradecane	3.14
n-nonane	0.78
undecane	0.88
tert-butylcyclohexane	2.35
cyclooctane	1.12
cyclopentanol	30.03
tetrahydropyran	48.48
tert-amyl methyl ether	19.19
2,5,8-trioxanonane	64.41
1-hexene	4.21
2-isopropoxyethanol	30.92
2,2,2-trifluoroethanol	42.75
methyl butyrate	32.04

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