Công thức phân tử
C13H20O2

SMILES
CC1CCC2(O1)C(=CC(=O)CC2(C)C)C

Gỗ	70.7%
Hoa	59.98%
Bạc hà	53.74%
Thuốc lá	48.86%
Long não	47.3%
Ngọt	45.83%
Thảo mộc	45.57%
Xanh	43.76%
Trà	39.01%
Trái cây	38.18%

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XLogP3-AA
1.8

Khối lượng phân tử
208.3 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Rất chậm

Nhiệt độ sôi ước lượng
290°C

Nhiệt độ chớp cháy ước lượng
105.06 ˚C

• Theaspirone A
• Theaspirone
• SCHEMBL11717026
• AXQMCYYCOKLZPP-UHFFFAOYSA-N
• CHEBI:182980
• 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one

Dung môi	Độ tan (g/L)
ethanol	417.36
methanol	630.73
isopropanol	310.12
water	16.04
ethyl acetate	985.1
n-propanol	427.94
acetone	1302.24
n-butanol	372.69
acetonitrile	1204.34
DMF	1997.33
toluene	1159.56
isobutanol	330.27
1,4-dioxane	1118.69
methyl acetate	1017.81
THF	1927.93
2-butanone	1086.52
n-pentanol	243.35
sec-butanol	332.77
n-hexane	95.95
ethylene glycol	200.45
NMP	1969.14
cyclohexane	158.21
DMSO	1522.79
n-butyl acetate	501.9
n-octanol	167.18
chloroform	3029.24
n-propyl acetate	477.24
acetic acid	780.48
dichloromethane	2912.64
cyclohexanone	1582.73
propylene glycol	195.02
isopropyl acetate	627.66
DMAc	1421.0
2-ethoxyethanol	452.69
isopentanol	334.73
n-heptane	42.93
ethyl formate	654.3
1,2-dichloroethane	1694.73
n-hexanol	308.75
2-methoxyethanol	883.19
isobutyl acetate	303.4
tetrachloromethane	620.67
n-pentyl acetate	383.67
transcutol	1209.55
n-heptanol	154.05
ethylbenzene	470.12
MIBK	565.48
2-propoxyethanol	615.72
tert-butanol	334.84
MTBE	524.29
2-butoxyethanol	330.11
propionic acid	612.03
o-xylene	582.32
formic acid	569.74
diethyl ether	716.42
m-xylene	745.5
p-xylene	496.6
chlorobenzene	1310.24
dimethyl carbonate	681.67
n-octane	17.48
formamide	832.73
cyclopentanone	1946.4
2-pentanone	940.3
anisole	824.7
cyclopentyl methyl ether	1165.19
gamma-butyrolactone	2037.67
1-methoxy-2-propanol	711.38
pyridine	1559.28
3-pentanone	867.74
furfural	1908.63
n-dodecane	12.95
diethylene glycol	494.59
diisopropyl ether	257.29
tert-amyl alcohol	347.66
acetylacetone	1162.82
n-hexadecane	15.57
acetophenone	758.99
methyl propionate	956.23
isopentyl acetate	437.85
trichloroethylene	3442.35
n-nonanol	140.66
cyclohexanol	511.86
benzyl alcohol	503.94
2-ethylhexanol	187.38
isooctanol	127.71
dipropyl ether	261.83
1,2-dichlorobenzene	1093.39
ethyl lactate	265.16
propylene carbonate	1086.68
n-methylformamide	1210.85
2-pentanol	278.31
n-pentane	90.29
1-propoxy-2-propanol	364.72
1-methoxy-2-propyl acetate	657.75
2-(2-methoxypropoxy) propanol	331.92
mesitylene	399.42
ε-caprolactone	1222.78
p-cymene	191.04
epichlorohydrin	2243.89
1,1,1-trichloroethane	1637.75
2-aminoethanol	289.93
morpholine-4-carbaldehyde	1521.17
sulfolane	2109.34
2,2,4-trimethylpentane	55.95
2-methyltetrahydrofuran	1365.19
n-hexyl acetate	585.23
isooctane	40.91
2-(2-butoxyethoxy)ethanol	410.1
sec-butyl acetate	364.34
tert-butyl acetate	625.04
decalin	99.61
glycerin	322.73
diglyme	889.57
acrylic acid	660.45
isopropyl myristate	164.3
n-butyric acid	679.09
acetyl acetate	747.09
di(2-ethylhexyl) phthalate	188.25
ethyl propionate	525.97
nitromethane	2058.96
1,2-diethoxyethane	375.83
benzonitrile	835.84
trioctyl phosphate	132.19
1-bromopropane	918.9
gamma-valerolactone	2015.91
n-decanol	93.49
triethyl phosphate	216.1
4-methyl-2-pentanol	184.49
propionitrile	794.7
vinylene carbonate	1072.66
1,1,2-trichlorotrifluoroethane	1235.28
DMS	700.9
cumene	264.88
2-octanol	116.41
2-hexanone	494.74
octyl acetate	225.05
limonene	251.74
1,2-dimethoxyethane	807.28
ethyl orthosilicate	192.01
tributyl phosphate	181.06
diacetone alcohol	545.49
N,N-dimethylaniline	513.53
acrylonitrile	1181.82
aniline	867.84
1,3-propanediol	371.56
bromobenzene	1492.23
dibromomethane	1863.88
1,1,2,2-tetrachloroethane	2187.61
2-methyl-cyclohexyl acetate	325.37
tetrabutyl urea	215.32
diisobutyl methanol	113.5
2-phenylethanol	459.24
styrene	625.34
dioctyl adipate	233.66
dimethyl sulfate	1173.16
ethyl butyrate	346.3
methyl lactate	458.98
butyl lactate	288.51
diethyl carbonate	262.15
propanediol butyl ether	308.52
triethyl orthoformate	245.06
p-tert-butyltoluene	187.33
methyl 4-tert-butylbenzoate	466.71
morpholine	1201.39
tert-butylamine	232.0
n-dodecanol	65.57
dimethoxymethane	1167.77
ethylene carbonate	863.89
cyrene	436.96
2-ethoxyethyl acetate	570.65
2-ethylhexyl acetate	371.83
1,2,4-trichlorobenzene	1258.57
4-methylpyridine	1715.88
dibutyl ether	196.51
2,6-dimethyl-4-heptanol	113.5
DEF	982.09
dimethyl isosorbide	635.0
tetrachloroethylene	1562.83
eugenol	400.73
triacetin	530.55
span 80	268.98
1,4-butanediol	158.45
1,1-dichloroethane	1520.39
2-methyl-1-pentanol	245.18
methyl formate	1103.72
2-methyl-1-butanol	357.05
n-decane	24.57
butyronitrile	637.69
3,7-dimethyl-1-octanol	164.31
1-chlorooctane	150.26
1-chlorotetradecane	47.73
n-nonane	24.81
undecane	17.1
tert-butylcyclohexane	78.42
cyclooctane	72.71
cyclopentanol	561.64
tetrahydropyran	1092.77
tert-amyl methyl ether	483.96
2,5,8-trioxanonane	500.53
1-hexene	265.73
2-isopropoxyethanol	305.67
2,2,2-trifluoroethanol	559.22
methyl butyrate	604.55

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