Công thức phân tử
C9H14O

SMILES
CC1CC(C(=O)C=C1)(C)C

Chỉ số lưu (RI)

• Carbowax: 1646.0

Bạc hà	59.3%
Thảo mộc	56.03%
Long não	46.23%
Thuốc lá	42.5%
Gỗ	33.79%
Cam chanh	32.24%
Keton	31.34%
Phenol	30.83%
Cỏ khô	29.54%
Cay	29.17%

Scent© AI

XLogP3-AA
2.2

pKa ước lượng
8.47 (kiềm yếu)

Khối lượng phân tử
138.21 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Tương đối nhanh

Nhiệt độ sôi ước lượng
200°C

Nhiệt độ chớp cháy ước lượng
63.55 ˚C

• SCHEMBL811287

Dung môi	Độ tan (g/L)
ethanol	404.12
methanol	457.65
isopropanol	305.31
water	1.5
ethyl acetate	456.09
n-propanol	315.25
acetone	354.66
n-butanol	325.87
acetonitrile	381.74
DMF	365.96
toluene	314.84
isobutanol	249.14
1,4-dioxane	655.52
methyl acetate	385.0
THF	897.3
2-butanone	380.2
n-pentanol	207.81
sec-butanol	244.72
n-hexane	107.23
ethylene glycol	65.82
NMP	350.33
cyclohexane	101.19
DMSO	210.22
n-butyl acetate	509.1
n-octanol	212.26
chloroform	1089.49
n-propyl acetate	252.15
acetic acid	282.62
dichloromethane	794.61
cyclohexanone	487.9
propylene glycol	87.82
isopropyl acetate	299.66
DMAc	283.8
2-ethoxyethanol	251.44
isopentanol	305.53
n-heptane	74.52
ethyl formate	248.61
1,2-dichloroethane	475.48
n-hexanol	468.87
2-methoxyethanol	385.48
isobutyl acetate	194.73
tetrachloromethane	259.69
n-pentyl acetate	253.65
transcutol	1129.06
n-heptanol	211.16
ethylbenzene	181.41
MIBK	271.64
2-propoxyethanol	557.97
tert-butanol	364.93
MTBE	422.38
2-butoxyethanol	313.03
propionic acid	231.01
o-xylene	204.17
formic acid	113.79
diethyl ether	463.88
m-xylene	252.78
p-xylene	225.12
chlorobenzene	375.01
dimethyl carbonate	132.37
n-octane	31.73
formamide	127.99
cyclopentanone	523.84
2-pentanone	365.99
anisole	312.65
cyclopentyl methyl ether	419.83
gamma-butyrolactone	569.2
1-methoxy-2-propanol	324.45
pyridine	427.38
3-pentanone	283.21
furfural	486.43
n-dodecane	23.82
diethylene glycol	305.18
diisopropyl ether	197.54
tert-amyl alcohol	294.26
acetylacetone	315.83
n-hexadecane	27.31
acetophenone	253.76
methyl propionate	285.24
isopentyl acetate	422.58
trichloroethylene	884.36
n-nonanol	183.12
cyclohexanol	265.15
benzyl alcohol	198.74
2-ethylhexanol	270.97
isooctanol	169.38
dipropyl ether	292.93
1,2-dichlorobenzene	349.13
ethyl lactate	123.32
propylene carbonate	357.31
n-methylformamide	212.09
2-pentanol	244.67
n-pentane	86.25
1-propoxy-2-propanol	411.23
1-methoxy-2-propyl acetate	404.42
2-(2-methoxypropoxy) propanol	276.14
mesitylene	178.39
ε-caprolactone	437.32
p-cymene	146.25
epichlorohydrin	629.71
1,1,1-trichloroethane	605.3
2-aminoethanol	154.32
morpholine-4-carbaldehyde	453.64
sulfolane	438.79
2,2,4-trimethylpentane	52.35
2-methyltetrahydrofuran	563.05
n-hexyl acetate	387.72
isooctane	55.56
2-(2-butoxyethoxy)ethanol	391.06
sec-butyl acetate	214.92
tert-butyl acetate	344.71
decalin	70.27
glycerin	117.11
diglyme	594.09
acrylic acid	189.13
isopropyl myristate	142.61
n-butyric acid	361.0
acetyl acetate	253.08
di(2-ethylhexyl) phthalate	128.54
ethyl propionate	231.83
nitromethane	365.12
1,2-diethoxyethane	477.32
benzonitrile	339.03
trioctyl phosphate	96.92
1-bromopropane	370.5
gamma-valerolactone	606.29
n-decanol	130.01
triethyl phosphate	120.23
4-methyl-2-pentanol	188.52
propionitrile	354.26
vinylene carbonate	327.39
1,1,2-trichlorotrifluoroethane	341.16
DMS	254.73
cumene	141.17
2-octanol	147.11
2-hexanone	269.06
octyl acetate	175.19
limonene	186.88
1,2-dimethoxyethane	416.26
ethyl orthosilicate	131.21
tributyl phosphate	122.56
diacetone alcohol	314.89
N,N-dimethylaniline	205.92
acrylonitrile	346.22
aniline	272.65
1,3-propanediol	224.37
bromobenzene	409.09
dibromomethane	569.61
1,1,2,2-tetrachloroethane	655.78
2-methyl-cyclohexyl acetate	218.08
tetrabutyl urea	135.77
diisobutyl methanol	160.73
2-phenylethanol	301.07
styrene	205.34
dioctyl adipate	166.25
dimethyl sulfate	163.95
ethyl butyrate	285.42
methyl lactate	130.83
butyl lactate	188.47
diethyl carbonate	182.15
propanediol butyl ether	252.81
triethyl orthoformate	194.8
p-tert-butyltoluene	152.73
methyl 4-tert-butylbenzoate	241.95
morpholine	649.93
tert-butylamine	291.34
n-dodecanol	96.05
dimethoxymethane	322.01
ethylene carbonate	285.88
cyrene	188.43
2-ethoxyethyl acetate	337.12
2-ethylhexyl acetate	339.73
1,2,4-trichlorobenzene	371.55
4-methylpyridine	487.57
dibutyl ether	243.78
2,6-dimethyl-4-heptanol	160.73
DEF	321.1
dimethyl isosorbide	411.7
tetrachloroethylene	468.04
eugenol	233.25
triacetin	257.72
span 80	240.7
1,4-butanediol	91.06
1,1-dichloroethane	566.85
2-methyl-1-pentanol	215.31
methyl formate	171.16
2-methyl-1-butanol	255.55
n-decane	41.35
butyronitrile	402.49
3,7-dimethyl-1-octanol	216.07
1-chlorooctane	153.71
1-chlorotetradecane	61.08
n-nonane	41.77
undecane	30.31
tert-butylcyclohexane	75.13
cyclooctane	48.82
cyclopentanol	250.96
tetrahydropyran	611.11
tert-amyl methyl ether	290.28
2,5,8-trioxanonane	379.79
1-hexene	245.58
2-isopropoxyethanol	219.77
2,2,2-trifluoroethanol	117.11
methyl butyrate	269.93

Scent© AI