Công thức phân tử
C17H26O2

SMILES
CC1=CC[C@H]2C[C@@H]1[C@]2(C)CC/C=C(\C)/COC(=O)C

Chỉ số lưu (RI)

• DB5: 1676.0

Gỗ	80.17%
Ngọt	61.01%
Hoa	58.43%
Trái cây	50.17%
Phấn	42.9%
Hoa violet	42.44%
Xanh	37.76%
Tươi mát	37.61%
Nhựa thơm	35.71%
Gỗ đàn hương	35.51%

Scent© AI

XLogP3-AA
4.1

pKa ước lượng
8.25 (kiềm yếu)

Khối lượng phân tử
262.4 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Cực chậm

Nhiệt độ sôi ước lượng
331°C

Nhiệt độ chớp cháy ước lượng
138.42 ˚C

• trans-.alpha.-Bergamotol acetate
• BDYQEBZJCFGMCH-WIFJEQQVSA-N

Dung môi	Độ tan (g/L)
ethanol	661.24
methanol	361.0
isopropanol	585.37
water	0.25
ethyl acetate	678.45
n-propanol	565.7
acetone	391.51
n-butanol	482.35
acetonitrile	263.86
DMF	290.7
toluene	457.22
isobutanol	344.72
1,4-dioxane	1180.62
methyl acetate	433.81
THF	1195.19
2-butanone	449.31
n-pentanol	225.03
sec-butanol	371.76
n-hexane	20.42
ethylene glycol	36.32
NMP	124.04
cyclohexane	63.2
DMSO	170.8
n-butyl acetate	296.94
n-octanol	72.34
chloroform	1332.2
n-propyl acetate	267.0
acetic acid	151.71
dichloromethane	845.66
cyclohexanone	388.21
propylene glycol	106.05
isopropyl acetate	420.01
DMAc	320.1
2-ethoxyethanol	403.44
isopentanol	356.0
n-heptane	10.81
ethyl formate	185.93
1,2-dichloroethane	487.38
n-hexanol	283.37
2-methoxyethanol	665.38
isobutyl acetate	199.17
tetrachloromethane	126.95
n-pentyl acetate	151.35
transcutol	1584.84
n-heptanol	93.87
ethylbenzene	158.54
MIBK	264.1
2-propoxyethanol	587.63
tert-butanol	479.1
MTBE	629.36
2-butoxyethanol	241.01
propionic acid	170.66
o-xylene	193.09
formic acid	53.1
diethyl ether	819.47
m-xylene	260.0
p-xylene	176.89
chlorobenzene	305.44
dimethyl carbonate	145.01
n-octane	4.98
formamide	108.74
cyclopentanone	371.76
2-pentanone	411.96
anisole	337.48
cyclopentyl methyl ether	442.66
gamma-butyrolactone	335.38
1-methoxy-2-propanol	587.55
pyridine	511.52
3-pentanone	295.84
furfural	328.83
n-dodecane	4.51
diethylene glycol	331.43
diisopropyl ether	170.69
tert-amyl alcohol	298.02
acetylacetone	367.24
n-hexadecane	5.45
acetophenone	218.38
methyl propionate	374.63
isopentyl acetate	285.47
trichloroethylene	826.83
n-nonanol	73.44
cyclohexanol	277.61
benzyl alcohol	206.13
2-ethylhexanol	122.78
isooctanol	80.63
dipropyl ether	165.39
1,2-dichlorobenzene	245.58
ethyl lactate	117.46
propylene carbonate	214.16
n-methylformamide	166.84
2-pentanol	290.09
n-pentane	31.15
1-propoxy-2-propanol	359.16
1-methoxy-2-propyl acetate	451.29
2-(2-methoxypropoxy) propanol	247.19
mesitylene	138.11
ε-caprolactone	385.15
p-cymene	67.93
epichlorohydrin	668.43
1,1,1-trichloroethane	438.33
2-aminoethanol	157.82
morpholine-4-carbaldehyde	405.68
sulfolane	196.44
2,2,4-trimethylpentane	16.87
2-methyltetrahydrofuran	687.56
n-hexyl acetate	196.1
isooctane	16.93
2-(2-butoxyethoxy)ethanol	371.82
sec-butyl acetate	252.55
tert-butyl acetate	370.19
decalin	24.55
glycerin	111.01
diglyme	652.78
acrylic acid	103.05
isopropyl myristate	78.03
n-butyric acid	324.89
acetyl acetate	279.69
di(2-ethylhexyl) phthalate	77.87
ethyl propionate	248.53
nitromethane	246.58
1,2-diethoxyethane	519.48
benzonitrile	226.14
trioctyl phosphate	49.41
1-bromopropane	386.3
gamma-valerolactone	606.14
n-decanol	52.9
triethyl phosphate	86.39
4-methyl-2-pentanol	175.6
propionitrile	308.05
vinylene carbonate	221.87
1,1,2-trichlorotrifluoroethane	312.92
DMS	204.29
cumene	95.48
2-octanol	58.97
2-hexanone	216.92
octyl acetate	93.95
limonene	81.33
1,2-dimethoxyethane	604.09
ethyl orthosilicate	90.01
tributyl phosphate	64.44
diacetone alcohol	320.78
N,N-dimethylaniline	176.57
acrylonitrile	256.35
aniline	392.22
1,3-propanediol	319.51
bromobenzene	328.32
dibromomethane	580.32
1,1,2,2-tetrachloroethane	715.92
2-methyl-cyclohexyl acetate	153.49
tetrabutyl urea	75.69
diisobutyl methanol	77.58
2-phenylethanol	240.38
styrene	182.07
dioctyl adipate	103.83
dimethyl sulfate	122.91
ethyl butyrate	200.65
methyl lactate	143.77
butyl lactate	130.56
diethyl carbonate	134.91
propanediol butyl ether	194.79
triethyl orthoformate	147.67
p-tert-butyltoluene	68.44
methyl 4-tert-butylbenzoate	167.65
morpholine	1295.25
tert-butylamine	300.35
n-dodecanol	39.75
dimethoxymethane	554.79
ethylene carbonate	221.61
cyrene	154.45
2-ethoxyethyl acetate	311.25
2-ethylhexyl acetate	214.32
1,2,4-trichlorobenzene	271.96
4-methylpyridine	553.18
dibutyl ether	121.69
2,6-dimethyl-4-heptanol	77.58
DEF	300.89
dimethyl isosorbide	327.84
tetrachloroethylene	377.54
eugenol	170.9
triacetin	225.65
span 80	169.91
1,4-butanediol	91.58
1,1-dichloroethane	604.55
2-methyl-1-pentanol	197.13
methyl formate	101.64
2-methyl-1-butanol	307.8
n-decane	8.36
butyronitrile	335.53
3,7-dimethyl-1-octanol	101.03
1-chlorooctane	46.83
1-chlorotetradecane	18.04
n-nonane	7.14
undecane	5.89
tert-butylcyclohexane	22.26
cyclooctane	17.69
cyclopentanol	216.18
tetrahydropyran	1048.02
tert-amyl methyl ether	312.39
2,5,8-trioxanonane	405.12
1-hexene	104.29
2-isopropoxyethanol	307.66
2,2,2-trifluoroethanol	66.55
methyl butyrate	260.75

Scent© AI