Molecular formula
C10H20O2

SMILES
CCC(CCC(C)C)C(=O)OC

Fragrance
Fruity	86.42%
Herbal	63.78%
Woody	48.96%
Oily	44.29%
Fatty	40.03%
Apple	38.44%
Sweet	36.51%
Floral	35.98%
Fresh	29.3%
Winey	27.22%

 

Flavor
Fruity	78.48%
Green	60.35%
Waxy	45.24%
Tropical	45.0%
Apple	44.47%
Sweet	41.87%
Oily	37.3%
Berry	36.54%
Floral	34.83%
Pineapple	33.46%

 

Odor impact est.
Medium

XLogP3-AA
3.2

pKa est.
8.38 (weak base)

Molecular weight
172.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
191°C

Flash point

• 70.43 ˚C est.

Methyl 2-ethyl-5-methylhexanoate is used primarily as a fragrance ingredient and odor compound in perfumery and related aroma applications; it can serve as a solvent or co-solvent in fragrance formulations and in coatings or inks; it is commonly employed as an intermediate in the synthesis of other esters; it may be used as a fragrance component in cosmetics and personal care products as well as in household products; its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	7108.25
methanol	5614.03
isopropanol	7370.45
water	1.38
ethyl acetate	4603.93
n-propanol	5933.48
acetone	5980.85
n-butanol	5186.81
acetonitrile	5147.07
DMF	3667.16
toluene	1481.92
isobutanol	4893.44
1,4-dioxane	5973.88
methyl acetate	3506.44
THF	6280.46
2-butanone	4349.1
n-pentanol	3056.37
sec-butanol	5879.24
n-hexane	718.99
ethylene glycol	479.02
NMP	2961.0
cyclohexane	1397.35
DMSO	2792.52
n-butyl acetate	3515.22
n-octanol	1293.66
chloroform	10827.67
n-propyl acetate	2424.67
acetic acid	4359.52
dichloromethane	8106.56
cyclohexanone	6545.65
propylene glycol	1078.4
isopropyl acetate	2624.26
DMAc	2124.1
2-ethoxyethanol	2443.78
isopentanol	4232.16
n-heptane	326.12
ethyl formate	3057.75
1,2-dichloroethane	4614.84
n-hexanol	3285.17
2-methoxyethanol	3992.2
isobutyl acetate	1395.84
tetrachloromethane	1891.94
n-pentyl acetate	1800.46
transcutol	4991.57
n-heptanol	1307.43
ethylbenzene	871.09
MIBK	1943.26
2-propoxyethanol	2988.97
tert-butanol	7259.47
MTBE	5450.83
2-butoxyethanol	1763.81
propionic acid	3347.64
o-xylene	956.32
formic acid	819.63
diethyl ether	4567.1
m-xylene	956.3
p-xylene	1289.48
chlorobenzene	2436.38
dimethyl carbonate	550.93
n-octane	144.07
formamide	1145.07
cyclopentanone	5221.91
2-pentanone	3657.45
anisole	1465.28
cyclopentyl methyl ether	3094.39
gamma-butyrolactone	5351.21
1-methoxy-2-propanol	2887.58
pyridine	4877.16
3-pentanone	2025.55
furfural	3639.64
n-dodecane	98.21
diethylene glycol	1475.29
diisopropyl ether	1189.12
tert-amyl alcohol	5650.35
acetylacetone	2602.54
n-hexadecane	116.0
acetophenone	1249.25
methyl propionate	2224.52
isopentyl acetate	2919.15
trichloroethylene	8576.02
n-nonanol	1032.88
cyclohexanol	4756.13
benzyl alcohol	1356.79
2-ethylhexanol	1629.55
isooctanol	1016.6
dipropyl ether	1531.03
1,2-dichlorobenzene	1903.99
ethyl lactate	664.9
propylene carbonate	2993.22
n-methylformamide	2425.75
2-pentanol	3691.98
n-pentane	621.71
1-propoxy-2-propanol	2309.06
1-methoxy-2-propyl acetate	1769.46
2-(2-methoxypropoxy) propanol	1050.39
mesitylene	656.47
ε-caprolactone	4920.39
p-cymene	569.93
epichlorohydrin	5953.38
1,1,1-trichloroethane	5983.79
2-aminoethanol	1550.15
morpholine-4-carbaldehyde	2952.68
sulfolane	4100.49
2,2,4-trimethylpentane	324.06
2-methyltetrahydrofuran	6168.08
n-hexyl acetate	2338.16
isooctane	242.98
2-(2-butoxyethoxy)ethanol	1581.42
sec-butyl acetate	1624.77
tert-butyl acetate	2170.34
decalin	387.84
glycerin	971.36
diglyme	2867.28
acrylic acid	2086.98
isopropyl myristate	671.04
n-butyric acid	5989.79
acetyl acetate	1909.49
di(2-ethylhexyl) phthalate	554.43
ethyl propionate	1620.39
nitromethane	5040.04
1,2-diethoxyethane	2221.02
benzonitrile	2443.16
trioctyl phosphate	450.34
1-bromopropane	3812.86
gamma-valerolactone	5692.11
n-decanol	674.62
triethyl phosphate	508.38
4-methyl-2-pentanol	1574.72
propionitrile	4360.93
vinylene carbonate	2498.88
1,1,2-trichlorotrifluoroethane	3194.53
DMS	981.67
cumene	574.37
2-octanol	1045.54
2-hexanone	2452.94
octyl acetate	890.89
limonene	1006.06
1,2-dimethoxyethane	3836.16
ethyl orthosilicate	543.88
tributyl phosphate	561.37
diacetone alcohol	2039.08
N,N-dimethylaniline	824.04
acrylonitrile	3759.6
aniline	2036.45
1,3-propanediol	2572.85
bromobenzene	2650.15
dibromomethane	5905.87
1,1,2,2-tetrachloroethane	6935.88
2-methyl-cyclohexyl acetate	1118.29
tetrabutyl urea	642.78
diisobutyl methanol	833.81
2-phenylethanol	1361.61
styrene	1103.86
dioctyl adipate	833.57
dimethyl sulfate	781.51
ethyl butyrate	1741.1
methyl lactate	778.54
butyl lactate	1105.92
diethyl carbonate	985.35
propanediol butyl ether	1547.83
triethyl orthoformate	1016.95
p-tert-butyltoluene	556.02
methyl 4-tert-butylbenzoate	1016.19
morpholine	7520.26
tert-butylamine	4668.65
n-dodecanol	463.32
dimethoxymethane	1860.88
ethylene carbonate	2371.54
cyrene	905.64
2-ethoxyethyl acetate	1672.17
2-ethylhexyl acetate	1996.51
1,2,4-trichlorobenzene	2205.98
4-methylpyridine	4581.17
dibutyl ether	1421.24
2,6-dimethyl-4-heptanol	833.81
DEF	3122.52
dimethyl isosorbide	1668.6
tetrachloroethylene	4489.99
eugenol	941.74
triacetin	1211.96
span 80	1177.22
1,4-butanediol	1000.59
1,1-dichloroethane	7129.51
2-methyl-1-pentanol	2600.66
methyl formate	1692.32
2-methyl-1-butanol	3982.7
n-decane	197.96
butyronitrile	5443.65
3,7-dimethyl-1-octanol	1159.63
1-chlorooctane	857.8
1-chlorotetradecane	274.85
n-nonane	211.9
undecane	133.47
tert-butylcyclohexane	375.28
cyclooctane	291.1
cyclopentanol	4484.11
tetrahydropyran	7789.51
tert-amyl methyl ether	2800.2
2,5,8-trioxanonane	1514.87
1-hexene	2216.33
2-isopropoxyethanol	1739.7
2,2,2-trifluoroethanol	935.7
methyl butyrate	2702.76

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