Molecular formula
C7H14O

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

Fragrance
Green	86.47%
Fresh	66.01%
Aldehydic	60.12%
Fatty	59.19%
Fruity	56.46%
Sweet	53.35%
Citrus	48.31%
Floral	45.34%
Melon	36.55%
Leafy	33.54%

 

Flavor
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%

 

Odor impact est.
High

XLogP3-AA
1.9

pKa est.
8.06 (weak base)

Molecular weight
114.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
148°C

Flash point

• 41.74 ˚C est.

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

(r)-4-Methylhexanal is a chiral aldehyde primarily used as a chemical intermediate in the synthesis of fragrance and flavor compounds, acting as a building block for aroma ingredients in perfumery and the food flavor sector; it may also be employed in cosmetics/personal care formulations as a fragrance precursor, and in industrial manufacturing as an intermediate for the preparation of other specialty chemicals.

gpt-5-nano

Solvent	Solubility (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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