Molecular formula
C11H22O2

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

Fragrance
Fruity	84.72%
Herbal	58.23%
Apple	45.52%
Oily	38.07%
Woody	32.58%
Sweet	31.96%
Floral	31.04%
Fatty	30.44%
Mint	28.82%
Winey	28.78%

 

Flavor
Fruity	76.62%
Green	52.62%
Tropical	39.76%
Sweet	36.36%
Apple	36.02%
Berry	35.72%
Pineapple	34.5%
Herbal	27.46%
Waxy	27.06%
Oily	25.86%

 

Odor impact est.
High

XLogP3-AA
3.5

pKa est.
8.47 (weak base)

Molecular weight
186.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
190°C

Flash point

• 72.21 ˚C est.

• NSC40525
• NSC-40525

Propan-2-yl 2-ethyl-4-methylpentanoate is an ester primarily used as a fragrance and aroma ingredient in perfumery, cosmetics, and personal-care products, typically offering a light, fresh note with good odor stability. It is also evaluated as a potential flavoring component in the food and beverage sector. Additionally, the ester may appear in household and cleaning products as a fragrance addendum for air fresheners, detergents, and fabric care. In industrial contexts, it can serve as an intermediate or solvent, and is sometimes used as a processing aid or plasticizer for polymers and coatings/inks, depending on formulation requirements and regulatory limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2500.56
methanol	2581.2
isopropanol	3367.64
water	2.74
ethyl acetate	1290.7
n-propanol	2667.15
acetone	2089.69
n-butanol	2745.4
acetonitrile	1402.3
DMF	2063.99
toluene	1272.75
isobutanol	2740.64
1,4-dioxane	2755.59
methyl acetate	1167.43
THF	3810.65
2-butanone	1802.23
n-pentanol	1990.07
sec-butanol	3289.33
n-hexane	1542.1
ethylene glycol	374.76
NMP	2020.91
cyclohexane	1881.38
DMSO	1259.74
n-butyl acetate	1954.53
n-octanol	1492.93
chloroform	6084.51
n-propyl acetate	917.21
acetic acid	1827.56
dichloromethane	3475.34
cyclohexanone	3493.6
propylene glycol	797.7
isopropyl acetate	1078.29
DMAc	1724.58
2-ethoxyethanol	1237.72
isopentanol	2685.93
n-heptane	644.0
ethyl formate	1007.39
1,2-dichloroethane	2142.02
n-hexanol	3134.09
2-methoxyethanol	1869.02
isobutyl acetate	787.88
tetrachloromethane	1259.27
n-pentyl acetate	1187.86
transcutol	2204.62
n-heptanol	1304.19
ethylbenzene	903.46
MIBK	1196.12
2-propoxyethanol	2175.0
tert-butanol	3624.32
MTBE	3002.4
2-butoxyethanol	1277.79
propionic acid	1455.76
o-xylene	892.27
formic acid	419.4
diethyl ether	2045.98
m-xylene	933.47
p-xylene	1244.56
chlorobenzene	1607.12
dimethyl carbonate	351.62
n-octane	285.66
formamide	345.86
cyclopentanone	2599.38
2-pentanone	1594.72
anisole	997.07
cyclopentyl methyl ether	2119.86
gamma-butyrolactone	2288.04
1-methoxy-2-propanol	1625.2
pyridine	2223.24
3-pentanone	1132.01
furfural	1796.68
n-dodecane	211.55
diethylene glycol	1067.4
diisopropyl ether	881.94
tert-amyl alcohol	3336.42
acetylacetone	1128.77
n-hexadecane	237.5
acetophenone	886.67
methyl propionate	911.53
isopentyl acetate	1863.26
trichloroethylene	3826.06
n-nonanol	1175.06
cyclohexanol	3381.43
benzyl alcohol	998.3
2-ethylhexanol	1684.41
isooctanol	1041.05
dipropyl ether	1282.35
1,2-dichlorobenzene	1313.74
ethyl lactate	482.42
propylene carbonate	1611.45
n-methylformamide	905.08
2-pentanol	2299.03
n-pentane	1049.43
1-propoxy-2-propanol	1746.92
1-methoxy-2-propyl acetate	1099.15
2-(2-methoxypropoxy) propanol	887.04
mesitylene	656.13
ε-caprolactone	2614.11
p-cymene	604.48
epichlorohydrin	2376.48
1,1,1-trichloroethane	2918.18
2-aminoethanol	890.15
morpholine-4-carbaldehyde	1786.04
sulfolane	2268.84
2,2,4-trimethylpentane	482.88
2-methyltetrahydrofuran	3328.54
n-hexyl acetate	1912.87
isooctane	347.31
2-(2-butoxyethoxy)ethanol	1165.04
sec-butyl acetate	787.97
tert-butyl acetate	1191.07
decalin	618.83
glycerin	742.77
diglyme	1742.83
acrylic acid	1049.83
isopropyl myristate	654.28
n-butyric acid	2415.88
acetyl acetate	777.02
di(2-ethylhexyl) phthalate	556.86
ethyl propionate	727.65
nitromethane	1472.63
1,2-diethoxyethane	1198.44
benzonitrile	1429.7
trioctyl phosphate	469.54
1-bromopropane	2294.16
gamma-valerolactone	2745.8
n-decanol	797.62
triethyl phosphate	443.85
4-methyl-2-pentanol	1287.17
propionitrile	1692.9
vinylene carbonate	1316.35
1,1,2-trichlorotrifluoroethane	1692.52
DMS	761.99
cumene	648.84
2-octanol	1167.6
2-hexanone	1380.25
octyl acetate	841.44
limonene	1010.97
1,2-dimethoxyethane	2226.19
ethyl orthosilicate	476.49
tributyl phosphate	549.8
diacetone alcohol	1199.04
N,N-dimethylaniline	773.83
acrylonitrile	1355.04
aniline	1254.14
1,3-propanediol	1392.29
bromobenzene	1737.32
dibromomethane	3050.76
1,1,2,2-tetrachloroethane	4026.38
2-methyl-cyclohexyl acetate	918.83
tetrabutyl urea	671.97
diisobutyl methanol	814.53
2-phenylethanol	1270.55
styrene	959.4
dioctyl adipate	757.95
dimethyl sulfate	530.66
ethyl butyrate	898.47
methyl lactate	536.7
butyl lactate	864.4
diethyl carbonate	583.94
propanediol butyl ether	1234.13
triethyl orthoformate	701.63
p-tert-butyltoluene	594.32
methyl 4-tert-butylbenzoate	868.23
morpholine	3263.1
tert-butylamine	2686.14
n-dodecanol	586.02
dimethoxymethane	1125.39
ethylene carbonate	1245.46
cyrene	725.72
2-ethoxyethyl acetate	926.0
2-ethylhexyl acetate	1444.59
1,2,4-trichlorobenzene	1474.59
4-methylpyridine	2440.52
dibutyl ether	1351.66
2,6-dimethyl-4-heptanol	814.53
DEF	1511.36
dimethyl isosorbide	1259.92
tetrachloroethylene	2687.15
eugenol	816.62
triacetin	935.11
span 80	1061.67
1,4-butanediol	756.51
1,1-dichloroethane	3126.17
2-methyl-1-pentanol	1984.38
methyl formate	713.89
2-methyl-1-butanol	2591.14
n-decane	368.12
butyronitrile	2293.17
3,7-dimethyl-1-octanol	1242.23
1-chlorooctane	1050.13
1-chlorotetradecane	402.2
n-nonane	411.15
undecane	265.83
tert-butylcyclohexane	592.45
cyclooctane	567.47
cyclopentanol	2788.42
tetrahydropyran	4017.51
tert-amyl methyl ether	1983.24
2,5,8-trioxanonane	1099.54
1-hexene	2490.74
2-isopropoxyethanol	1021.82
2,2,2-trifluoroethanol	509.15
methyl butyrate	1178.19

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