Công thức phân tử
C15H18O2

SMILES
CC1=CC[C@@H]2[C@H]1C3C(=C(C(=O)O3)C)CCC2=C

Cay	50.03%
Gỗ	48.9%
Ngọt	42.55%
Bạc hà	36.11%
Dừa	34.58%
Thảo mộc	32.48%
Coumarin	32.39%
Thuốc lá	31.68%
Hạt	30.06%
Xanh	29.51%

Scent© AI

XLogP3-AA
1.9

Khối lượng phân tử
230.3 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Cực chậm

Nhiệt độ sôi ước lượng
424°C

Nhiệt độ chớp cháy ước lượng
146.63 ˚C

• Jalcaguaianolide
• WAQFXLYLGJEYAW-ULVQEXTCSA-N

Dung môi	Độ tan (g/L)
ethanol	163.96
methanol	160.72
isopropanol	292.52
water	0.6
ethyl acetate	290.72
n-propanol	243.1
acetone	420.61
n-butanol	249.53
acetonitrile	224.49
DMF	743.9
toluene	546.96
isobutanol	242.64
1,4-dioxane	671.96
methyl acetate	386.54
THF	778.85
2-butanone	569.31
n-pentanol	160.3
sec-butanol	271.69
n-hexane	6.2
ethylene glycol	38.56
NMP	454.5
cyclohexane	27.98
DMSO	304.66
n-butyl acetate	231.67
n-octanol	89.3
chloroform	1839.78
n-propyl acetate	232.88
acetic acid	161.13
dichloromethane	1361.18
cyclohexanone	675.08
propylene glycol	65.52
isopropyl acetate	227.3
DMAc	568.72
2-ethoxyethanol	220.37
isopentanol	262.03
n-heptane	7.85
ethyl formate	248.58
1,2-dichloroethane	628.0
n-hexanol	175.59
2-methoxyethanol	325.33
isobutyl acetate	187.94
tetrachloromethane	187.52
n-pentyl acetate	200.74
transcutol	524.23
n-heptanol	111.02
ethylbenzene	210.23
MIBK	234.48
2-propoxyethanol	287.6
tert-butanol	290.73
MTBE	218.06
2-butoxyethanol	212.3
propionic acid	200.48
o-xylene	272.23
formic acid	52.98
diethyl ether	158.94
m-xylene	311.83
p-xylene	311.38
chlorobenzene	525.66
dimethyl carbonate	180.66
n-octane	6.49
formamide	137.91
cyclopentanone	771.82
2-pentanone	338.96
anisole	336.2
cyclopentyl methyl ether	269.45
gamma-butyrolactone	648.73
1-methoxy-2-propanol	310.77
pyridine	914.42
3-pentanone	272.84
furfural	618.25
n-dodecane	8.78
diethylene glycol	212.81
diisopropyl ether	70.29
tert-amyl alcohol	242.0
acetylacetone	363.3
n-hexadecane	10.64
acetophenone	335.71
methyl propionate	268.68
isopentyl acetate	242.56
trichloroethylene	1404.62
n-nonanol	89.57
cyclohexanol	278.74
benzyl alcohol	346.26
2-ethylhexanol	111.78
isooctanol	104.09
dipropyl ether	78.23
1,2-dichlorobenzene	435.1
ethyl lactate	120.47
propylene carbonate	394.61
n-methylformamide	277.57
2-pentanol	182.01
n-pentane	10.95
1-propoxy-2-propanol	202.02
1-methoxy-2-propyl acetate	249.1
2-(2-methoxypropoxy) propanol	206.74
mesitylene	166.84
ε-caprolactone	482.62
p-cymene	104.07
epichlorohydrin	826.19
1,1,1-trichloroethane	595.31
2-aminoethanol	89.63
morpholine-4-carbaldehyde	567.49
sulfolane	508.44
2,2,4-trimethylpentane	13.7
2-methyltetrahydrofuran	466.65
n-hexyl acetate	232.05
isooctane	12.11
2-(2-butoxyethoxy)ethanol	255.38
sec-butyl acetate	182.42
tert-butyl acetate	210.65
decalin	24.05
glycerin	97.12
diglyme	460.46
acrylic acid	179.98
isopropyl myristate	102.4
n-butyric acid	278.7
acetyl acetate	214.87
di(2-ethylhexyl) phthalate	133.55
ethyl propionate	185.61
nitromethane	362.03
1,2-diethoxyethane	217.55
benzonitrile	509.77
trioctyl phosphate	85.53
1-bromopropane	295.18
gamma-valerolactone	756.74
n-decanol	69.83
triethyl phosphate	98.96
4-methyl-2-pentanol	129.58
propionitrile	278.68
vinylene carbonate	444.84
1,1,2-trichlorotrifluoroethane	412.68
DMS	248.02
cumene	134.19
2-octanol	87.38
2-hexanone	244.31
octyl acetate	126.23
limonene	112.77
1,2-dimethoxyethane	420.52
ethyl orthosilicate	94.62
tributyl phosphate	98.8
diacetone alcohol	230.89
N,N-dimethylaniline	209.19
acrylonitrile	386.31
aniline	458.55
1,3-propanediol	174.49
bromobenzene	573.69
dibromomethane	779.15
1,1,2,2-tetrachloroethane	980.75
2-methyl-cyclohexyl acetate	172.88
tetrabutyl urea	129.01
diisobutyl methanol	78.35
2-phenylethanol	282.41
styrene	245.72
dioctyl adipate	145.62
dimethyl sulfate	232.52
ethyl butyrate	170.02
methyl lactate	146.58
butyl lactate	162.9
diethyl carbonate	132.93
propanediol butyl ether	176.91
triethyl orthoformate	124.63
p-tert-butyltoluene	94.82
methyl 4-tert-butylbenzoate	236.36
morpholine	622.63
tert-butylamine	162.63
n-dodecanol	55.82
dimethoxymethane	367.01
ethylene carbonate	369.03
cyrene	246.56
2-ethoxyethyl acetate	271.53
2-ethylhexyl acetate	189.64
1,2,4-trichlorobenzene	510.43
4-methylpyridine	864.39
dibutyl ether	90.38
2,6-dimethyl-4-heptanol	78.35
DEF	309.49
dimethyl isosorbide	333.64
tetrachloroethylene	595.52
eugenol	253.68
triacetin	233.36
span 80	178.01
1,4-butanediol	85.86
1,1-dichloroethane	704.59
2-methyl-1-pentanol	189.62
methyl formate	243.28
2-methyl-1-butanol	235.0
n-decane	12.66
butyronitrile	281.14
3,7-dimethyl-1-octanol	106.56
1-chlorooctane	63.1
1-chlorotetradecane	32.12
n-nonane	9.68
undecane	10.34
tert-butylcyclohexane	20.86
cyclooctane	10.03
cyclopentanol	292.47
tetrahydropyran	505.85
tert-amyl methyl ether	151.49
2,5,8-trioxanonane	312.12
1-hexene	48.17
2-isopropoxyethanol	194.19
2,2,2-trifluoroethanol	105.67
methyl butyrate	264.57

Scent© AI