Molecular formula
C13H26O2

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

Fragrance
Fruity	76.3%
Herbal	56.75%
Oily	52.71%
Fatty	50.99%
Apple	38.07%
Woody	36.87%
Waxy	30.31%
Winey	29.94%
Floral	28.52%
Sweet	28.37%

 

Flavor
Fruity	74.91%
Green	67.78%
Waxy	48.06%
Apple	41.6%
Sweet	40.39%
Herbal	36.06%
Oily	35.9%
Tropical	35.32%
Berry	33.79%
Pear	29.32%

 

Odor impact est.
Medium

XLogP3-AA
4.6

pKa est.
7.9 (neutral)

Molecular weight
214.34 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
235°C

Flash point

• 97.62 ˚C est.

• 2-METHYLBUTYL 2-ETHYLHEXANOATE
• RQIIRKXUXXEZQA-UHFFFAOYSA-N

2-Methylbutyl 2-ethylhexanoate (CAS number: ) is primarily encountered as a fragrance ingredient in perfumery and cosmetics, providing fruity and floral notes in formulations. It also serves as a solvent or carrier in cosmetics, personal care, and household products. Additionally, the ester may function as a plasticizer or processing aid in coatings, inks, and polymer formulations to improve flexibility and flow. In industrial manufacturing and adhesive formulations, it can be used as an intermediate or processing aid, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	16384.84
methanol	13734.63
isopropanol	15168.97
water	1.15
ethyl acetate	17773.48
n-propanol	13976.27
acetone	19994.87
n-butanol	13979.12
acetonitrile	14239.49
DMF	10889.39
toluene	5724.77
isobutanol	12340.19
1,4-dioxane	15473.43
methyl acetate	10346.07
THF	15792.69
2-butanone	15071.18
n-pentanol	8023.96
sec-butanol	14188.52
n-hexane	3672.67
ethylene glycol	626.02
NMP	7808.97
cyclohexane	6938.59
DMSO	7665.3
n-butyl acetate	16698.38
n-octanol	4322.88
chloroform	24480.03
n-propyl acetate	10530.43
acetic acid	9031.17
dichloromethane	20619.96
cyclohexanone	21642.26
propylene glycol	1466.96
isopropyl acetate	11730.64
DMAc	7393.53
2-ethoxyethanol	6122.57
isopentanol	12735.28
n-heptane	1698.92
ethyl formate	9039.85
1,2-dichloroethane	15965.82
n-hexanol	9506.66
2-methoxyethanol	8992.13
isobutyl acetate	5939.15
tetrachloromethane	4784.5
n-pentyl acetate	8362.69
transcutol	16098.59
n-heptanol	4082.9
ethylbenzene	3708.27
MIBK	7581.2
2-propoxyethanol	8116.0
tert-butanol	15572.29
MTBE	19204.97
2-butoxyethanol	5124.66
propionic acid	6717.76
o-xylene	3295.93
formic acid	1547.83
diethyl ether	18605.01
m-xylene	3239.32
p-xylene	5391.85
chlorobenzene	9259.81
dimethyl carbonate	1771.81
n-octane	782.16
formamide	2544.55
cyclopentanone	14046.23
2-pentanone	14363.02
anisole	5267.03
cyclopentyl methyl ether	9153.67
gamma-butyrolactone	12427.8
1-methoxy-2-propanol	7096.42
pyridine	16241.93
3-pentanone	8296.09
furfural	9043.66
n-dodecane	440.81
diethylene glycol	3019.66
diisopropyl ether	5527.6
tert-amyl alcohol	14243.56
acetylacetone	9871.72
n-hexadecane	530.54
acetophenone	4766.29
methyl propionate	7511.7
isopentyl acetate	13477.39
trichloroethylene	25967.12
n-nonanol	3417.2
cyclohexanol	12748.94
benzyl alcohol	3951.75
2-ethylhexanol	6311.87
isooctanol	3630.08
dipropyl ether	7435.22
1,2-dichlorobenzene	6633.67
ethyl lactate	1950.75
propylene carbonate	7780.78
n-methylformamide	6011.47
2-pentanol	11373.09
n-pentane	2781.07
1-propoxy-2-propanol	7222.47
1-methoxy-2-propyl acetate	6452.32
2-(2-methoxypropoxy) propanol	2893.6
mesitylene	2215.24
ε-caprolactone	16586.38
p-cymene	2142.42
epichlorohydrin	15711.52
1,1,1-trichloroethane	17639.27
2-aminoethanol	2524.95
morpholine-4-carbaldehyde	7881.96
sulfolane	8751.96
2,2,4-trimethylpentane	1143.67
2-methyltetrahydrofuran	16472.34
n-hexyl acetate	9189.7
isooctane	953.58
2-(2-butoxyethoxy)ethanol	4641.59
sec-butyl acetate	7378.46
tert-butyl acetate	8391.35
decalin	1863.4
glycerin	1335.57
diglyme	9350.42
acrylic acid	4155.88
isopropyl myristate	2679.56
n-butyric acid	16610.56
acetyl acetate	7236.36
di(2-ethylhexyl) phthalate	1656.24
ethyl propionate	7279.54
nitromethane	12506.75
1,2-diethoxyethane	10565.86
benzonitrile	8297.13
trioctyl phosphate	1403.37
1-bromopropane	12572.45
gamma-valerolactone	15762.52
n-decanol	2186.25
triethyl phosphate	1835.66
4-methyl-2-pentanol	5114.14
propionitrile	12270.88
vinylene carbonate	6668.24
1,1,2-trichlorotrifluoroethane	6907.74
DMS	3673.21
cumene	2311.56
2-octanol	3671.29
2-hexanone	9512.69
octyl acetate	3233.65
limonene	3967.43
1,2-dimethoxyethane	12985.26
ethyl orthosilicate	1973.0
tributyl phosphate	1943.17
diacetone alcohol	5850.86
N,N-dimethylaniline	3082.24
acrylonitrile	9840.48
aniline	6041.9
1,3-propanediol	5589.63
bromobenzene	10219.22
dibromomethane	15997.06
1,1,2,2-tetrachloroethane	20090.64
2-methyl-cyclohexyl acetate	4223.35
tetrabutyl urea	2213.9
diisobutyl methanol	3098.46
2-phenylethanol	4403.69
styrene	4702.83
dioctyl adipate	2835.94
dimethyl sulfate	1962.73
ethyl butyrate	8310.68
methyl lactate	1889.51
butyl lactate	3880.83
diethyl carbonate	3902.42
propanediol butyl ether	3646.44
triethyl orthoformate	3991.36
p-tert-butyltoluene	1953.81
methyl 4-tert-butylbenzoate	3189.22
morpholine	19417.09
tert-butylamine	11714.24
n-dodecanol	1538.12
dimethoxymethane	6149.56
ethylene carbonate	7099.06
cyrene	1980.86
2-ethoxyethyl acetate	6974.27
2-ethylhexyl acetate	9617.06
1,2,4-trichlorobenzene	6792.49
4-methylpyridine	16484.59
dibutyl ether	7578.41
2,6-dimethyl-4-heptanol	3098.46
DEF	11773.44
dimethyl isosorbide	4191.72
tetrachloroethylene	13372.02
eugenol	2875.12
triacetin	3847.56
span 80	3237.83
1,4-butanediol	2033.95
1,1-dichloroethane	20661.62
2-methyl-1-pentanol	7890.51
methyl formate	4058.28
2-methyl-1-butanol	11506.4
n-decane	956.97
butyronitrile	17832.86
3,7-dimethyl-1-octanol	4334.32
1-chlorooctane	3569.04
1-chlorotetradecane	1070.73
n-nonane	1058.36
undecane	606.37
tert-butylcyclohexane	1582.49
cyclooctane	1487.15
cyclopentanol	9520.77
tetrahydropyran	25194.87
tert-amyl methyl ether	10315.12
2,5,8-trioxanonane	4422.37
1-hexene	9460.85
2-isopropoxyethanol	4688.21
2,2,2-trifluoroethanol	1946.02
methyl butyrate	12247.02

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