Công thức phân tử
C12H13O4-

SMILES
CC(C)COC(=O)C1=CC=CC=C1C(=O)[O-]

Hương thơm
Ngọt	52.72%
Nhựa thơm	45.27%
Hoa	40.72%
Không mùi	37.21%
Trái cây	34.05%
Mật ong	30.15%
Phấn	29.71%
Thảo mộc	29.48%
Rượu vang	28.73%
Nho	26.87%

 

Hương vị
Bitter	36.39%
Odorless	32.73%
Fruity	30.26%
Powdery	23.47%
Faint	21.25%
Grape	21.23%
Orange flower	20.77%
Mild	20.56%
Sweet	20.41%
Ethyl benzoate	20.28%

 

Cường độ mùi ước lượng
Thấp

XLogP3-AA
3.1

pKa ước lượng
4.15 (axit yếu)

Khối lượng phân tử
221.23 g/mol

Điểm chớp cháy

• 154.16 ˚C ước lượng

• 1,2-Benzenedicarboxylic acid, 1-(2-methylpropyl) ester

1,2-Benzenedicarboxylic acid, 1-(2-methylpropyl) ester (mono-isobutyl phthalate) được xem là chất trung gian và chất hỗ trợ xử lý trong sản xuất chất làm dẻo và nhựa phthalate; nó cũng hoạt động như dung môi hoặc carrier trong các hệ coating, mực in và keo dính; là tiền chất cho tổng hợp các este phthalate phức tạp hơn; trong ngành hương liệu, nó có thể được sử dụng làm dung môi hoặc chất mang hương; và được đánh giá cho ứng dụng trong các hệ polymer và lớp phủ theo quy định.

gpt-5-nano

Dung môi	Độ tan (g/L)
ethanol	1565.27
methanol	1728.35
isopropanol	999.19
water	0.4
ethyl acetate	721.88
n-propanol	1324.86
acetone	1044.04
n-butanol	1178.09
acetonitrile	773.04
DMF	3907.94
toluene	626.57
isobutanol	932.87
1,4-dioxane	668.85
methyl acetate	866.2
THF	1045.46
2-butanone	1420.5
n-pentanol	582.13
sec-butanol	1285.71
n-hexane	12.11
ethylene glycol	168.31
NMP	1523.58
cyclohexane	17.7
DMSO	1034.78
n-butyl acetate	430.84
n-octanol	124.91
chloroform	720.18
n-propyl acetate	359.41
acetic acid	485.75
dichloromethane	759.87
cyclohexanone	974.66
propylene glycol	250.56
isopropyl acetate	413.71
DMAc	2649.16
2-ethoxyethanol	757.67
isopentanol	907.29
n-heptane	4.38
ethyl formate	384.3
1,2-dichloroethane	894.2
n-hexanol	453.98
2-methoxyethanol	1592.75
isobutyl acetate	199.54
tetrachloromethane	41.76
n-pentyl acetate	184.39
transcutol	930.44
n-heptanol	161.74
ethylbenzene	254.01
MIBK	506.55
2-propoxyethanol	715.23
tert-butanol	1070.96
MTBE	806.59
2-butoxyethanol	341.78
propionic acid	436.66
o-xylene	315.45
formic acid	266.74
diethyl ether	665.45
m-xylene	312.05
p-xylene	239.69
chlorobenzene	410.8
dimethyl carbonate	291.13
n-octane	3.82
formamide	688.36
cyclopentanone	1061.63
2-pentanone	986.99
anisole	530.07
cyclopentyl methyl ether	671.44
gamma-butyrolactone	920.07
1-methoxy-2-propanol	1181.9
pyridine	1085.23
3-pentanone	637.68
furfural	759.86
n-dodecane	4.5
diethylene glycol	460.38
diisopropyl ether	121.4
tert-amyl alcohol	1283.12
acetylacetone	619.55
n-hexadecane	5.18
acetophenone	436.16
methyl propionate	847.94
isopentyl acetate	420.58
trichloroethylene	1408.19
n-nonanol	111.6
cyclohexanol	620.26
benzyl alcohol	523.12
2-ethylhexanol	197.36
isooctanol	130.18
dipropyl ether	114.73
1,2-dichlorobenzene	288.58
ethyl lactate	173.52
propylene carbonate	434.13
n-methylformamide	1413.56
2-pentanol	771.82
n-pentane	16.96
1-propoxy-2-propanol	400.82
1-methoxy-2-propyl acetate	387.98
2-(2-methoxypropoxy) propanol	235.31
mesitylene	117.04
ε-caprolactone	737.25
p-cymene	74.05
epichlorohydrin	1579.84
1,1,1-trichloroethane	465.02
2-aminoethanol	542.98
morpholine-4-carbaldehyde	1135.5
sulfolane	810.2
2,2,4-trimethylpentane	18.64
2-methyltetrahydrofuran	1052.39
n-hexyl acetate	250.89
isooctane	10.06
2-(2-butoxyethoxy)ethanol	369.76
sec-butyl acetate	272.46
tert-butyl acetate	450.89
decalin	19.92
glycerin	256.31
diglyme	613.05
acrylic acid	344.33
isopropyl myristate	78.23
n-butyric acid	664.25
acetyl acetate	241.59
di(2-ethylhexyl) phthalate	80.36
ethyl propionate	322.38
nitromethane	977.66
1,2-diethoxyethane	302.85
benzonitrile	458.17
trioctyl phosphate	60.33
1-bromopropane	530.76
gamma-valerolactone	1252.66
n-decanol	83.36
triethyl phosphate	88.35
4-methyl-2-pentanol	309.52
propionitrile	778.32
vinylene carbonate	391.55
1,1,2-trichlorotrifluoroethane	574.55
DMS	218.88
cumene	120.82
2-octanol	102.09
2-hexanone	464.86
octyl acetate	113.11
limonene	116.74
1,2-dimethoxyethane	864.66
ethyl orthosilicate	86.08
tributyl phosphate	76.14
diacetone alcohol	753.77
N,N-dimethylaniline	321.75
acrylonitrile	988.77
aniline	729.88
1,3-propanediol	762.96
bromobenzene	359.73
dibromomethane	554.52
1,1,2,2-tetrachloroethane	1048.56
2-methyl-cyclohexyl acetate	158.63
tetrabutyl urea	110.68
diisobutyl methanol	99.93
2-phenylethanol	379.56
styrene	325.23
dioctyl adipate	108.38
dimethyl sulfate	339.95
ethyl butyrate	207.26
methyl lactate	355.45
butyl lactate	162.49
diethyl carbonate	124.28
propanediol butyl ether	254.78
triethyl orthoformate	111.98
p-tert-butyltoluene	70.62
methyl 4-tert-butylbenzoate	195.28
morpholine	1399.26
tert-butylamine	511.59
n-dodecanol	59.27
dimethoxymethane	1127.86
ethylene carbonate	318.87
cyrene	256.87
2-ethoxyethyl acetate	283.22
2-ethylhexyl acetate	275.4
1,2,4-trichlorobenzene	341.77
4-methylpyridine	1522.12
dibutyl ether	110.96
2,6-dimethyl-4-heptanol	99.93
DEF	1327.53
dimethyl isosorbide	346.83
tetrachloroethylene	518.49
eugenol	221.82
triacetin	157.43
span 80	169.65
1,4-butanediol	243.64
1,1-dichloroethane	803.13
2-methyl-1-pentanol	600.44
methyl formate	668.35
2-methyl-1-butanol	1089.82
n-decane	6.74
butyronitrile	779.65
3,7-dimethyl-1-octanol	158.46
1-chlorooctane	61.48
1-chlorotetradecane	22.23
n-nonane	5.65
undecane	5.37
tert-butylcyclohexane	19.61
cyclooctane	5.9
cyclopentanol	561.08
tetrahydropyran	859.13
tert-amyl methyl ether	771.6
2,5,8-trioxanonane	384.23
1-hexene	150.19
2-isopropoxyethanol	495.28
2,2,2-trifluoroethanol	165.64
methyl butyrate	507.97

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