Công thức phân tử
C12H18O2

SMILES
CC(C)C1=CCC(C=C1)COC(=O)C

Hương thơm
Thảo mộc	73.12%
Trái cây	61.76%
Cay	60.62%
Gỗ	56.06%
Hoa	52.27%
Ngọt	50.38%
Tươi mát	43.37%
Xanh	43.21%
Bạc hà	37.62%
Cam chanh	27.53%

 

Hương vị
Herbal	44.3%
Fruity	43.35%
Floral	39.03%
Spicy	33.77%
Tropical	33.32%
Mint	31.66%
Spice	29.93%
Sweet	28.32%
Minty	27.75%
Fresh	26.0%

 

Cường độ mùi ước lượng
Trung bình

XLogP3-AA
2.5

pKa ước lượng
8.75 (kiềm yếu)

Khối lượng phân tử
194.27 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Chậm

Điểm sôi ước lượng
245°C

Điểm chớp cháy

• 113.98 ˚C ước lượng

• SCHEMBL873063

Chất (4-Propan-2-ylcyclohexa-2,4-dien-1-yl)methyl acetate thường được dùng như một chất gây mùi và chất trung gian hương thơm. Trong lĩnh vực nước hoa nó góp phần hình thành hồ hương, và trong mỹ phẩm/chăm sóc cá nhân nó có thể đóng vai trò là thành phần hương liệu; trong các sản phẩm gia dụng như nước lau chùi và xịt phòng nó mang lại mùi hương. Nó cũng có thể được dùng như phụ gia hương trong lớp phủ và mực in để bổ sung hương thơm, và có thể xuất hiện như một chất trung gian trong tổng hợp hương cho các công thức đặc thù.

gpt-5-nano

Dung môi	Độ tan (g/L)
ethanol	325.85
methanol	300.54
isopropanol	288.47
water	0.15
ethyl acetate	343.85
n-propanol	266.06
acetone	451.59
n-butanol	254.88
acetonitrile	314.45
DMF	529.1
toluene	265.1
isobutanol	194.01
1,4-dioxane	646.22
methyl acetate	337.63
THF	683.21
2-butanone	445.8
n-pentanol	188.05
sec-butanol	256.88
n-hexane	31.13
ethylene glycol	42.75
NMP	416.62
cyclohexane	35.57
DMSO	569.32
n-butyl acetate	234.57
n-octanol	80.23
chloroform	1203.72
n-propyl acetate	189.23
acetic acid	186.0
dichloromethane	949.6
cyclohexanone	444.09
propylene glycol	112.07
isopropyl acetate	212.1
DMAc	514.29
2-ethoxyethanol	263.0
isopentanol	233.16
n-heptane	10.05
ethyl formate	146.95
1,2-dichloroethane	534.15
n-hexanol	197.79
2-methoxyethanol	368.81
isobutyl acetate	136.85
tetrachloromethane	104.37
n-pentyl acetate	128.44
transcutol	1345.95
n-heptanol	73.7
ethylbenzene	117.42
MIBK	191.89
2-propoxyethanol	325.99
tert-butanol	368.76
MTBE	340.51
2-butoxyethanol	156.94
propionic acid	190.94
o-xylene	143.45
formic acid	52.24
diethyl ether	357.05
m-xylene	168.45
p-xylene	141.69
chlorobenzene	265.16
dimethyl carbonate	102.62
n-octane	5.25
formamide	98.2
cyclopentanone	489.22
2-pentanone	309.84
anisole	262.11
cyclopentyl methyl ether	309.25
gamma-butyrolactone	457.05
1-methoxy-2-propanol	344.91
pyridine	424.76
3-pentanone	242.26
furfural	397.55
n-dodecane	4.99
diethylene glycol	213.32
diisopropyl ether	86.29
tert-amyl alcohol	275.92
acetylacetone	305.18
n-hexadecane	5.93
acetophenone	215.2
methyl propionate	255.78
isopentyl acetate	222.71
trichloroethylene	997.2
n-nonanol	72.38
cyclohexanol	229.24
benzyl alcohol	198.92
2-ethylhexanol	112.44
isooctanol	65.64
dipropyl ether	111.65
1,2-dichlorobenzene	243.51
ethyl lactate	101.98
propylene carbonate	244.64
n-methylformamide	172.15
2-pentanol	182.16
n-pentane	21.37
1-propoxy-2-propanol	232.9
1-methoxy-2-propyl acetate	265.79
2-(2-methoxypropoxy) propanol	233.72
mesitylene	96.53
ε-caprolactone	368.36
p-cymene	63.69
epichlorohydrin	651.65
1,1,1-trichloroethane	467.52
2-aminoethanol	122.89
morpholine-4-carbaldehyde	481.6
sulfolane	520.88
2,2,4-trimethylpentane	16.74
2-methyltetrahydrofuran	523.24
n-hexyl acetate	204.2
isooctane	13.29
2-(2-butoxyethoxy)ethanol	315.57
sec-butyl acetate	152.59
tert-butyl acetate	232.04
decalin	27.14
glycerin	126.78
diglyme	513.31
acrylic acid	143.13
isopropyl myristate	76.0
n-butyric acid	249.06
acetyl acetate	184.69
di(2-ethylhexyl) phthalate	90.12
ethyl propionate	168.19
nitromethane	318.22
1,2-diethoxyethane	350.33
benzonitrile	238.68
trioctyl phosphate	55.17
1-bromopropane	330.58
gamma-valerolactone	529.74
n-decanol	53.78
triethyl phosphate	83.44
4-methyl-2-pentanol	104.59
propionitrile	242.61
vinylene carbonate	221.98
1,1,2-trichlorotrifluoroethane	385.62
DMS	203.53
cumene	83.8
2-octanol	54.85
2-hexanone	213.58
octyl acetate	97.58
limonene	88.77
1,2-dimethoxyethane	388.5
ethyl orthosilicate	82.25
tributyl phosphate	79.27
diacetone alcohol	264.0
N,N-dimethylaniline	166.02
acrylonitrile	266.47
aniline	293.41
1,3-propanediol	177.2
bromobenzene	291.46
dibromomethane	640.37
1,1,2,2-tetrachloroethane	836.06
2-methyl-cyclohexyl acetate	146.18
tetrabutyl urea	94.44
diisobutyl methanol	63.7
2-phenylethanol	178.96
styrene	154.32
dioctyl adipate	121.72
dimethyl sulfate	170.24
ethyl butyrate	149.2
methyl lactate	124.26
butyl lactate	123.41
diethyl carbonate	110.68
propanediol butyl ether	195.98
triethyl orthoformate	109.21
p-tert-butyltoluene	63.83
methyl 4-tert-butylbenzoate	165.59
morpholine	743.94
tert-butylamine	217.29
n-dodecanol	40.89
dimethoxymethane	305.68
ethylene carbonate	184.64
cyrene	191.27
2-ethoxyethyl acetate	236.92
2-ethylhexyl acetate	171.56
1,2,4-trichlorobenzene	312.13
4-methylpyridine	454.94
dibutyl ether	114.98
2,6-dimethyl-4-heptanol	63.7
DEF	290.63
dimethyl isosorbide	326.59
tetrachloroethylene	426.03
eugenol	170.52
triacetin	228.64
span 80	170.81
1,4-butanediol	81.74
1,1-dichloroethane	595.03
2-methyl-1-pentanol	188.15
methyl formate	122.06
2-methyl-1-butanol	217.27
n-decane	8.58
butyronitrile	253.87
3,7-dimethyl-1-octanol	98.77
1-chlorooctane	57.32
1-chlorotetradecane	22.09
n-nonane	7.94
undecane	6.23
tert-butylcyclohexane	26.61
cyclooctane	11.93
cyclopentanol	204.95
tetrahydropyran	550.94
tert-amyl methyl ether	219.72
2,5,8-trioxanonane	357.64
1-hexene	136.2
2-isopropoxyethanol	205.93
2,2,2-trifluoroethanol	63.81
methyl butyrate	209.61

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