Công thức phân tử
C12H24O2

SMILES
CCC(C)C(=O)OCCCCC(C)C

Trái cây	90.51%
Thảo mộc	62.99%
Táo	60.31%
Dầu	51.18%
Ngọt	46.32%
Xanh	41.14%
Béo	40.69%
Rượu vang	40.35%
Hoa	39.66%
Sáp	33.41%

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XLogP3-AA
4.1

pKa ước lượng
8.29 (kiềm yếu)

Khối lượng phân tử
200.32 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Tương đối chậm

Nhiệt độ sôi ước lượng
227°C

Nhiệt độ chớp cháy ước lượng
88.46 ˚C

• Isoheptyl 2-methylbutyrate
• SCHEMBL7218963
• 5-Methylhexyl 2-methylbutanoate
• NSALWSUXLYVZBR-UHFFFAOYSA-N
• Butanoic acid, 2-methyl-, 5-methylhexyl ester

Dung môi	Độ tan (g/L)
ethanol	15718.87
methanol	12892.49
isopropanol	15272.56
water	0.74
ethyl acetate	15582.04
n-propanol	12086.79
acetone	18294.4
n-butanol	10938.24
acetonitrile	13459.69
DMF	8422.29
toluene	3217.89
isobutanol	10418.27
1,4-dioxane	11194.55
methyl acetate	9432.17
THF	12999.5
2-butanone	13260.65
n-pentanol	6672.8
sec-butanol	12495.01
n-hexane	3128.33
ethylene glycol	606.52
NMP	5642.54
cyclohexane	3510.01
DMSO	6774.39
n-butyl acetate	12311.17
n-octanol	3309.7
chloroform	17107.82
n-propyl acetate	8632.3
acetic acid	7931.7
dichloromethane	14842.74
cyclohexanone	14677.92
propylene glycol	1532.05
isopropyl acetate	9981.05
DMAc	5370.74
2-ethoxyethanol	5526.09
isopentanol	10483.24
n-heptane	1076.06
ethyl formate	6812.12
1,2-dichloroethane	10735.36
n-hexanol	7205.52
2-methoxyethanol	8178.92
isobutyl acetate	4905.84
tetrachloromethane	3377.74
n-pentyl acetate	5980.27
transcutol	16075.91
n-heptanol	3079.15
ethylbenzene	2215.26
MIBK	6528.94
2-propoxyethanol	7164.79
tert-butanol	16159.95
MTBE	18265.64
2-butoxyethanol	4162.79
propionic acid	6129.31
o-xylene	2159.46
formic acid	1243.71
diethyl ether	15037.72
m-xylene	2315.89
p-xylene	3233.32
chlorobenzene	4966.26
dimethyl carbonate	1363.54
n-octane	512.85
formamide	1949.08
cyclopentanone	10854.42
2-pentanone	11924.42
anisole	3357.14
cyclopentyl methyl ether	7728.08
gamma-butyrolactone	9911.03
1-methoxy-2-propanol	6894.98
pyridine	8430.68
3-pentanone	6525.72
furfural	6195.32
n-dodecane	294.98
diethylene glycol	2838.68
diisopropyl ether	4578.95
tert-amyl alcohol	13146.18
acetylacetone	8604.08
n-hexadecane	352.94
acetophenone	2978.69
methyl propionate	6802.96
isopentyl acetate	9893.82
trichloroethylene	16768.6
n-nonanol	2582.47
cyclohexanol	8992.66
benzyl alcohol	2593.81
2-ethylhexanol	4523.6
isooctanol	2690.11
dipropyl ether	6033.68
1,2-dichlorobenzene	4003.65
ethyl lactate	1623.2
propylene carbonate	5700.26
n-methylformamide	4595.77
2-pentanol	8911.44
n-pentane	1898.2
1-propoxy-2-propanol	6681.86
1-methoxy-2-propyl acetate	5878.0
2-(2-methoxypropoxy) propanol	2604.29
mesitylene	1587.04
ε-caprolactone	11388.8
p-cymene	1390.22
epichlorohydrin	11413.97
1,1,1-trichloroethane	12943.32
2-aminoethanol	2377.68
morpholine-4-carbaldehyde	6093.64
sulfolane	7492.75
2,2,4-trimethylpentane	900.04
2-methyltetrahydrofuran	13744.6
n-hexyl acetate	7191.67
isooctane	772.77
2-(2-butoxyethoxy)ethanol	4176.4
sec-butyl acetate	6256.66
tert-butyl acetate	8057.76
decalin	1193.08
glycerin	1345.46
diglyme	7409.56
acrylic acid	3417.91
isopropyl myristate	2024.08
n-butyric acid	13211.47
acetyl acetate	5874.34
di(2-ethylhexyl) phthalate	1282.95
ethyl propionate	5917.26
nitromethane	10986.4
1,2-diethoxyethane	9085.13
benzonitrile	4852.62
trioctyl phosphate	1085.13
1-bromopropane	9423.06
gamma-valerolactone	11663.56
n-decanol	1656.47
triethyl phosphate	1363.13
4-methyl-2-pentanol	4427.99
propionitrile	9283.61
vinylene carbonate	4534.47
1,1,2-trichlorotrifluoroethane	5603.17
DMS	2846.79
cumene	1522.6
2-octanol	2684.17
2-hexanone	8061.72
octyl acetate	2429.71
limonene	2680.85
1,2-dimethoxyethane	10457.84
ethyl orthosilicate	1525.81
tributyl phosphate	1516.58
diacetone alcohol	5608.79
N,N-dimethylaniline	1991.44
acrylonitrile	7185.77
aniline	3658.6
1,3-propanediol	4689.18
bromobenzene	5574.61
dibromomethane	11403.94
1,1,2,2-tetrachloroethane	13962.96
2-methyl-cyclohexyl acetate	3229.92
tetrabutyl urea	1725.34
diisobutyl methanol	2293.72
2-phenylethanol	2843.98
styrene	2673.05
dioctyl adipate	2238.91
dimethyl sulfate	1748.83
ethyl butyrate	6123.73
methyl lactate	1618.14
butyl lactate	2962.94
diethyl carbonate	2810.14
propanediol butyl ether	3283.99
triethyl orthoformate	3082.46
p-tert-butyltoluene	1321.22
methyl 4-tert-butylbenzoate	2352.64
morpholine	14222.27
tert-butylamine	11056.84
n-dodecanol	1170.53
dimethoxymethane	5227.17
ethylene carbonate	4710.5
cyrene	1753.97
2-ethoxyethyl acetate	5287.48
2-ethylhexyl acetate	6908.12
1,2,4-trichlorobenzene	4241.38
4-methylpyridine	9285.9
dibutyl ether	5837.49
2,6-dimethyl-4-heptanol	2293.72
DEF	9645.0
dimethyl isosorbide	3908.02
tetrachloroethylene	8779.43
eugenol	2094.99
triacetin	3183.84
span 80	2748.1
1,4-butanediol	1861.06
1,1-dichloroethane	15475.61
2-methyl-1-pentanol	6263.24
methyl formate	3059.24
2-methyl-1-butanol	9130.46
n-decane	627.25
butyronitrile	12649.43
3,7-dimethyl-1-octanol	3293.2
1-chlorooctane	2529.77
1-chlorotetradecane	759.15
n-nonane	703.52
undecane	406.32
tert-butylcyclohexane	1172.45
cyclooctane	822.99
cyclopentanol	7557.83
tetrahydropyran	17075.71
tert-amyl methyl ether	9158.34
2,5,8-trioxanonane	3814.18
1-hexene	8027.79
2-isopropoxyethanol	4412.7
2,2,2-trifluoroethanol	1602.8
methyl butyrate	9177.2

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