Molecular formula
C11H22O2

SMILES
CCCCC(C)(CC)C(=O)OCC

Fragrance
Fruity	90.11%
Herbal	57.07%
Apple	52.37%
Floral	38.22%
Fresh	34.81%
Fatty	34.16%
Woody	34.08%
Oily	31.6%
Green	30.78%
Berry	27.3%

 

Flavor
Fruity	76.35%
Green	69.38%
Sweet	53.41%
Apple	45.11%
Waxy	44.3%
Tropical	37.61%
Fruit	34.52%
Berry	33.19%
Herbal	33.02%
Pear	32.62%

 

Odor impact est.
Medium

XLogP3-AA
3.7

pKa est.
8.45 (weak base)

Molecular weight
186.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
199°C

Flash point

• 83.8 ˚C est.

• SCHEMBL8849887
• ethyl 2-methyl-2-ethyl-hexanoate
• PZPHBNPPUGLYIV-UHFFFAOYSA-N

Ethyl 2-methyl-2-ethyl-hexanoate is primarily used as an aroma ingredient in fragrance applications, where its ester contributes to the scent profile of perfumes and related products and may function as a fixative to help retain fragrance. In cosmetics and personal care, it serves as an odorant additive in products such as lotions, creams, and hair care formulations. It is also encountered in household and cleaning products as a fragrance component to impart pleasant scents. In food processing and flavor applications, it may be evaluated for use as a flavor/aroma ingredient within regulated formulations, depending on local rules and limits. Its use is subject to regulatory constraints and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	11325.6
methanol	9506.12
isopropanol	12744.91
water	3.63
ethyl acetate	9055.03
n-propanol	10785.86
acetone	10987.71
n-butanol	9405.29
acetonitrile	11809.57
DMF	9271.67
toluene	4852.59
isobutanol	10113.56
1,4-dioxane	11334.44
methyl acetate	7905.38
THF	10477.85
2-butanone	10198.59
n-pentanol	6718.38
sec-butanol	12693.07
n-hexane	2384.19
ethylene glycol	830.18
NMP	6527.22
cyclohexane	4245.71
DMSO	5172.15
n-butyl acetate	9098.01
n-octanol	4407.18
chloroform	25727.37
n-propyl acetate	6097.83
acetic acid	5911.34
dichloromethane	18972.08
cyclohexanone	14691.92
propylene glycol	1752.68
isopropyl acetate	5657.99
DMAc	6089.38
2-ethoxyethanol	4885.33
isopentanol	8170.88
n-heptane	1331.97
ethyl formate	6570.19
1,2-dichloroethane	12260.11
n-hexanol	7434.8
2-methoxyethanol	6858.0
isobutyl acetate	3562.09
tetrachloromethane	5212.34
n-pentyl acetate	5698.86
transcutol	9129.45
n-heptanol	3894.65
ethylbenzene	3307.34
MIBK	4520.01
2-propoxyethanol	6162.33
tert-butanol	12798.3
MTBE	12267.85
2-butoxyethanol	4141.23
propionic acid	5977.42
o-xylene	3198.02
formic acid	1206.82
diethyl ether	10079.69
m-xylene	3045.35
p-xylene	4505.86
chlorobenzene	7905.31
dimethyl carbonate	1678.07
n-octane	715.84
formamide	2012.13
cyclopentanone	10677.77
2-pentanone	7969.52
anisole	4666.19
cyclopentyl methyl ether	6404.52
gamma-butyrolactone	10509.25
1-methoxy-2-propanol	5435.12
pyridine	12743.86
3-pentanone	5526.83
furfural	7723.5
n-dodecane	505.07
diethylene glycol	2580.96
diisopropyl ether	3143.69
tert-amyl alcohol	11986.1
acetylacetone	5847.31
n-hexadecane	588.95
acetophenone	4032.42
methyl propionate	5239.98
isopentyl acetate	7358.0
trichloroethylene	21271.16
n-nonanol	3432.38
cyclohexanol	9828.12
benzyl alcohol	3723.86
2-ethylhexanol	4566.65
isooctanol	3237.55
dipropyl ether	4148.2
1,2-dichlorobenzene	5938.64
ethyl lactate	1734.01
propylene carbonate	6574.54
n-methylformamide	5628.15
2-pentanol	7964.03
n-pentane	1988.46
1-propoxy-2-propanol	4956.11
1-methoxy-2-propyl acetate	4179.06
2-(2-methoxypropoxy) propanol	2312.04
mesitylene	2123.88
ε-caprolactone	10866.75
p-cymene	1924.51
epichlorohydrin	12187.86
1,1,1-trichloroethane	15232.89
2-aminoethanol	2673.07
morpholine-4-carbaldehyde	6500.93
sulfolane	8142.7
2,2,4-trimethylpentane	1071.3
2-methyltetrahydrofuran	11516.61
n-hexyl acetate	7183.71
isooctane	779.17
2-(2-butoxyethoxy)ethanol	3431.93
sec-butyl acetate	3940.78
tert-butyl acetate	5047.34
decalin	1409.26
glycerin	1470.01
diglyme	6337.5
acrylic acid	3788.36
isopropyl myristate	2215.83
n-butyric acid	9365.85
acetyl acetate	4200.0
di(2-ethylhexyl) phthalate	1445.7
ethyl propionate	4475.69
nitromethane	9366.81
1,2-diethoxyethane	5643.12
benzonitrile	7383.48
trioctyl phosphate	1308.31
1-bromopropane	10408.96
gamma-valerolactone	11260.55
n-decanol	2214.61
triethyl phosphate	1513.3
4-methyl-2-pentanol	3412.75
propionitrile	11337.6
vinylene carbonate	6476.79
1,1,2-trichlorotrifluoroethane	5619.74
DMS	2865.16
cumene	2100.01
2-octanol	3553.97
2-hexanone	6038.08
octyl acetate	2887.95
limonene	3144.06
1,2-dimethoxyethane	9001.28
ethyl orthosilicate	1507.27
tributyl phosphate	1576.33
diacetone alcohol	4010.29
N,N-dimethylaniline	2761.09
acrylonitrile	9851.76
aniline	5159.68
1,3-propanediol	4240.96
bromobenzene	8839.27
dibromomethane	14677.3
1,1,2,2-tetrachloroethane	17338.44
2-methyl-cyclohexyl acetate	3056.26
tetrabutyl urea	1893.64
diisobutyl methanol	2130.82
2-phenylethanol	3681.57
styrene	4112.72
dioctyl adipate	2359.92
dimethyl sulfate	2080.08
ethyl butyrate	4770.64
methyl lactate	1710.91
butyl lactate	2978.96
diethyl carbonate	2876.47
propanediol butyl ether	3472.26
triethyl orthoformate	2744.32
p-tert-butyltoluene	1833.12
methyl 4-tert-butylbenzoate	3046.13
morpholine	13429.03
tert-butylamine	9462.52
n-dodecanol	1575.5
dimethoxymethane	4751.16
ethylene carbonate	6067.84
cyrene	1902.17
2-ethoxyethyl acetate	4294.26
2-ethylhexyl acetate	5542.34
1,2,4-trichlorobenzene	6251.07
4-methylpyridine	12762.66
dibutyl ether	4690.52
2,6-dimethyl-4-heptanol	2130.82
DEF	7748.82
dimethyl isosorbide	3596.76
tetrachloroethylene	11903.4
eugenol	2603.43
triacetin	3257.78
span 80	2695.95
1,4-butanediol	2141.77
1,1-dichloroethane	17861.95
2-methyl-1-pentanol	6087.9
methyl formate	4305.32
2-methyl-1-butanol	8719.13
n-decane	970.02
butyronitrile	13409.23
3,7-dimethyl-1-octanol	3658.08
1-chlorooctane	3391.78
1-chlorotetradecane	1139.47
n-nonane	1080.64
undecane	656.43
tert-butylcyclohexane	1323.61
cyclooctane	1084.18
cyclopentanol	9040.6
tetrahydropyran	15313.23
tert-amyl methyl ether	7235.8
2,5,8-trioxanonane	3309.22
1-hexene	6321.9
2-isopropoxyethanol	3629.28
2,2,2-trifluoroethanol	1511.62
methyl butyrate	7151.14

Scent© AI