Công thức phân tử
C7H14O

SMILES
CC[C@@H](C)CCC=O

Hương thơm
Xanh	86.47%
Tươi mát	66.01%
Aldehyde	60.12%
Béo	59.19%
Trái cây	56.46%
Ngọt	53.35%
Cam chanh	48.31%
Hoa	45.34%
Dưa	36.55%
Lá cây	33.54%

 

Hương vị
Green	80.6%
Fatty	61.5%
Aldehydic	60.29%
Fresh	53.9%
Fruity	52.49%
Citrus	50.97%
Fat	49.31%
Waxy	47.22%
Herbal	39.76%
Soap	37.51%

 

Cường độ mùi ước lượng
Mạnh

XLogP3-AA
1.9

pKa ước lượng
8.06 (kiềm yếu)

Khối lượng phân tử
114.19 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Cực nhanh

Điểm sôi ước lượng
148°C

Điểm chớp cháy

• 41.74 ˚C ước lượng

• (r)-4-methylhexanal
• SCHEMBL10146424
• GIGNTOMJQYNUNL-SSDOTTSWSA-N

(r)-4-Methylhexanal là một aldehyde quay được sử dụng chủ yếu làm tiền chất tổng hợp các hợp chất hương liệu và hương vị, là khối xây dựng cho các thành phần thơm trong nước hoa và ngành thực phẩm; nó cũng được xem là nguyên liệu cho mỹ phẩm và sản phẩm chăm sóc cá nhân ở dạng tiền chất hương, đồng thời có ứng dụng trong sản xuất công nghiệp như intermediates cho các hợp chất tổng hợp.

gpt-5-nano

Dung môi	Độ tan (g/L)
ethanol	1455.51
methanol	1039.55
isopropanol	1115.46
water	0.57
ethyl acetate	1333.23
n-propanol	1115.53
acetone	1508.5
n-butanol	1125.8
acetonitrile	844.02
DMF	978.38
toluene	258.15
isobutanol	765.11
1,4-dioxane	1455.91
methyl acetate	955.29
THF	2407.79
2-butanone	1240.38
n-pentanol	594.73
sec-butanol	849.15
n-hexane	114.43
ethylene glycol	231.72
NMP	923.15
cyclohexane	156.22
DMSO	1329.51
n-butyl acetate	1328.86
n-octanol	273.38
chloroform	1799.06
n-propyl acetate	620.84
acetic acid	920.08
dichloromethane	1814.0
cyclohexanone	1606.14
propylene glycol	370.55
isopropyl acetate	686.8
DMAc	523.97
2-ethoxyethanol	661.2
isopentanol	910.09
n-heptane	113.37
ethyl formate	746.18
1,2-dichloroethane	1245.45
n-hexanol	1110.98
2-methoxyethanol	1297.59
isobutyl acetate	368.66
tetrachloromethane	351.19
n-pentyl acetate	435.79
transcutol	2737.88
n-heptanol	302.15
ethylbenzene	157.21
MIBK	545.15
2-propoxyethanol	1429.39
tert-butanol	1235.0
MTBE	868.85
2-butoxyethanol	552.3
propionic acid	865.29
o-xylene	172.25
formic acid	237.94
diethyl ether	905.49
m-xylene	212.42
p-xylene	199.87
chlorobenzene	535.52
dimethyl carbonate	194.12
n-octane	32.57
formamide	343.54
cyclopentanone	1895.98
2-pentanone	1094.43
anisole	358.12
cyclopentyl methyl ether	896.44
gamma-butyrolactone	1997.11
1-methoxy-2-propanol	1078.61
pyridine	1006.82
3-pentanone	603.64
furfural	1218.97
n-dodecane	21.94
diethylene glycol	808.26
diisopropyl ether	256.53
tert-amyl alcohol	829.92
acetylacetone	1009.98
n-hexadecane	25.42
acetophenone	328.58
methyl propionate	741.37
isopentyl acetate	1018.8
trichloroethylene	2193.15
n-nonanol	227.74
cyclohexanol	793.04
benzyl alcohol	312.54
2-ethylhexanol	577.2
isooctanol	233.72
dipropyl ether	670.52
1,2-dichlorobenzene	481.18
ethyl lactate	245.29
propylene carbonate	994.71
n-methylformamide	681.04
2-pentanol	675.46
n-pentane	99.2
1-propoxy-2-propanol	1128.92
1-methoxy-2-propyl acetate	983.32
2-(2-methoxypropoxy) propanol	480.58
mesitylene	136.96
ε-caprolactone	1227.26
p-cymene	170.66
epichlorohydrin	2052.25
1,1,1-trichloroethane	1210.75
2-aminoethanol	494.14
morpholine-4-carbaldehyde	964.73
sulfolane	1739.52
2,2,4-trimethylpentane	50.42
2-methyltetrahydrofuran	1913.04
n-hexyl acetate	597.55
isooctane	47.21
2-(2-butoxyethoxy)ethanol	729.93
sec-butyl acetate	415.83
tert-butyl acetate	736.28
decalin	67.78
glycerin	395.81
diglyme	1229.46
acrylic acid	608.07
isopropyl myristate	214.12
n-butyric acid	1588.86
acetyl acetate	595.68
di(2-ethylhexyl) phthalate	185.88
ethyl propionate	525.67
nitromethane	1378.6
1,2-diethoxyethane	992.33
benzonitrile	523.68
trioctyl phosphate	153.01
1-bromopropane	786.34
gamma-valerolactone	1967.56
n-decanol	166.5
triethyl phosphate	206.53
4-methyl-2-pentanol	346.55
propionitrile	821.06
vinylene carbonate	753.27
1,1,2-trichlorotrifluoroethane	960.63
DMS	382.63
cumene	117.32
2-octanol	194.74
2-hexanone	645.1
octyl acetate	265.59
limonene	308.54
1,2-dimethoxyethane	1061.82
ethyl orthosilicate	213.48
tributyl phosphate	209.41
diacetone alcohol	819.56
N,N-dimethylaniline	197.84
acrylonitrile	878.07
aniline	420.41
1,3-propanediol	854.68
bromobenzene	531.94
dibromomethane	1199.16
1,1,2,2-tetrachloroethane	1504.62
2-methyl-cyclohexyl acetate	421.15
tetrabutyl urea	229.57
diisobutyl methanol	295.56
2-phenylethanol	467.15
styrene	194.73
dioctyl adipate	302.0
dimethyl sulfate	288.75
ethyl butyrate	753.95
methyl lactate	321.71
butyl lactate	362.63
diethyl carbonate	422.01
propanediol butyl ether	487.49
triethyl orthoformate	426.4
p-tert-butyltoluene	169.81
methyl 4-tert-butylbenzoate	313.68
morpholine	1828.55
tert-butylamine	729.43
n-dodecanol	124.51
dimethoxymethane	620.52
ethylene carbonate	652.68
cyrene	310.0
2-ethoxyethyl acetate	624.16
2-ethylhexyl acetate	718.27
1,2,4-trichlorobenzene	505.2
4-methylpyridine	848.19
dibutyl ether	405.13
2,6-dimethyl-4-heptanol	295.56
DEF	798.38
dimethyl isosorbide	804.48
tetrachloroethylene	1002.42
eugenol	349.99
triacetin	451.53
span 80	489.43
1,4-butanediol	258.82
1,1-dichloroethane	1334.0
2-methyl-1-pentanol	491.39
methyl formate	495.51
2-methyl-1-butanol	733.74
n-decane	38.24
butyronitrile	1045.96
3,7-dimethyl-1-octanol	324.65
1-chlorooctane	181.76
1-chlorotetradecane	65.23
n-nonane	39.79
undecane	28.29
tert-butylcyclohexane	68.76
cyclooctane	44.73
cyclopentanol	979.68
tetrahydropyran	1798.8
tert-amyl methyl ether	526.23
2,5,8-trioxanonane	723.25
1-hexene	402.91
2-isopropoxyethanol	484.66
2,2,2-trifluoroethanol	247.33
methyl butyrate	720.07

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