Molecular formula
C14H28O2

SMILES
CCCC(=O)OCC(CCC(C)C)C(C)C

Fragrance
Fruity	78.1%
Herbal	66.54%
Woody	53.03%
Oily	40.39%
Floral	40.12%
Mint	37.6%
Sweet	33.96%
Apple	32.07%
Rose	30.41%
Fresh	29.15%

 

Flavor
Fruity	62.88%
Green	53.1%
Waxy	39.56%
Oily	38.31%
Tropical	37.57%
Floral	31.79%
Apple	31.36%
Sweet	29.5%
Herbal	27.95%
Pineapple	25.7%

 

Odor impact est.
Medium

XLogP3-AA
4.8

pKa est.
7.85 (neutral)

Molecular weight
228.37 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
249°C

Flash point

• 98.85 ˚C est.

Compound, (5-Methyl-2-propan-2-ylhexyl) butanoate, is used primarily in perfumery and personal care as an aroma component and fragrance fixative in formulations; it is also incorporated into cosmetics and household products to impart and sustain scent; in coatings/inks and polymer formulations, it can serve as a fragrance additive or odor-modifying component within the material system; it may be evaluated for use in industrial formulations to enhance fragrance performance and consumer perception.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	6270.78
methanol	4233.78
isopropanol	6653.45
water	0.54
ethyl acetate	6067.31
n-propanol	4908.32
acetone	6720.17
n-butanol	4701.53
acetonitrile	3948.04
DMF	3384.87
toluene	1885.14
isobutanol	4172.64
1,4-dioxane	6426.73
methyl acetate	3532.74
THF	8478.64
2-butanone	5195.63
n-pentanol	2864.8
sec-butanol	5269.8
n-hexane	1572.96
ethylene glycol	246.34
NMP	3059.3
cyclohexane	2476.96
DMSO	3215.05
n-butyl acetate	5383.52
n-octanol	1738.85
chloroform	9202.33
n-propyl acetate	3520.97
acetic acid	3506.05
dichloromethane	7382.86
cyclohexanone	7877.87
propylene glycol	791.39
isopropyl acetate	3990.68
DMAc	2516.28
2-ethoxyethanol	2325.04
isopentanol	4259.2
n-heptane	800.33
ethyl formate	2660.82
1,2-dichloroethane	4760.76
n-hexanol	3752.37
2-methoxyethanol	3452.62
isobutyl acetate	2206.03
tetrachloromethane	1679.41
n-pentyl acetate	2787.62
transcutol	6961.99
n-heptanol	1640.72
ethylbenzene	1279.98
MIBK	2637.12
2-propoxyethanol	3386.17
tert-butanol	7125.45
MTBE	6668.88
2-butoxyethanol	2193.35
propionic acid	2669.89
o-xylene	1231.34
formic acid	501.23
diethyl ether	5348.99
m-xylene	1289.5
p-xylene	1990.98
chlorobenzene	2858.92
dimethyl carbonate	615.82
n-octane	315.97
formamide	740.35
cyclopentanone	5763.42
2-pentanone	4631.89
anisole	1899.88
cyclopentyl methyl ether	3846.92
gamma-butyrolactone	5249.89
1-methoxy-2-propanol	3174.83
pyridine	4756.75
3-pentanone	2682.35
furfural	3463.9
n-dodecane	185.31
diethylene glycol	1335.66
diisopropyl ether	1892.32
tert-amyl alcohol	5376.6
acetylacetone	3953.67
n-hexadecane	221.97
acetophenone	1718.54
methyl propionate	2640.15
isopentyl acetate	4738.55
trichloroethylene	8144.08
n-nonanol	1445.08
cyclohexanol	5004.85
benzyl alcohol	1460.83
2-ethylhexanol	2411.7
isooctanol	1394.52
dipropyl ether	2878.45
1,2-dichlorobenzene	2278.31
ethyl lactate	912.41
propylene carbonate	3438.8
n-methylformamide	1699.36
2-pentanol	3897.43
n-pentane	943.52
1-propoxy-2-propanol	3259.71
1-methoxy-2-propyl acetate	2887.93
2-(2-methoxypropoxy) propanol	1559.34
mesitylene	947.53
ε-caprolactone	5822.84
p-cymene	916.48
epichlorohydrin	5769.92
1,1,1-trichloroethane	6058.96
2-aminoethanol	945.26
morpholine-4-carbaldehyde	3229.71
sulfolane	4329.76
2,2,4-trimethylpentane	473.53
2-methyltetrahydrofuran	7657.11
n-hexyl acetate	3802.61
isooctane	421.89
2-(2-butoxyethoxy)ethanol	2394.58
sec-butyl acetate	2520.04
tert-butyl acetate	3392.5
decalin	736.89
glycerin	705.77
diglyme	4036.69
acrylic acid	1477.07
isopropyl myristate	1215.35
n-butyric acid	6026.21
acetyl acetate	2706.02
di(2-ethylhexyl) phthalate	838.45
ethyl propionate	2479.56
nitromethane	4143.55
1,2-diethoxyethane	3610.63
benzonitrile	2551.74
trioctyl phosphate	718.34
1-bromopropane	4131.98
gamma-valerolactone	6404.33
n-decanol	958.74
triethyl phosphate	838.73
4-methyl-2-pentanol	1952.5
propionitrile	3298.48
vinylene carbonate	2541.24
1,1,2-trichlorotrifluoroethane	2918.92
DMS	1509.86
cumene	910.77
2-octanol	1433.15
2-hexanone	3397.89
octyl acetate	1463.43
limonene	1708.99
1,2-dimethoxyethane	4617.86
ethyl orthosilicate	899.66
tributyl phosphate	918.23
diacetone alcohol	2872.87
N,N-dimethylaniline	1158.52
acrylonitrile	2551.59
aniline	2055.84
1,3-propanediol	2113.45
bromobenzene	3255.69
dibromomethane	5783.1
1,1,2,2-tetrachloroethane	7180.16
2-methyl-cyclohexyl acetate	1949.71
tetrabutyl urea	1056.42
diisobutyl methanol	1343.6
2-phenylethanol	1718.36
styrene	1552.53
dioctyl adipate	1462.97
dimethyl sulfate	863.69
ethyl butyrate	3119.67
methyl lactate	861.25
butyl lactate	1696.22
diethyl carbonate	1596.09
propanediol butyl ether	1903.52
triethyl orthoformate	1751.95
p-tert-butyltoluene	905.72
methyl 4-tert-butylbenzoate	1510.9
morpholine	7911.97
tert-butylamine	4783.49
n-dodecanol	702.14
dimethoxymethane	2126.92
ethylene carbonate	2656.3
cyrene	1138.75
2-ethoxyethyl acetate	2576.14
2-ethylhexyl acetate	3467.55
1,2,4-trichlorobenzene	2667.46
4-methylpyridine	4884.75
dibutyl ether	2841.18
2,6-dimethyl-4-heptanol	1343.6
DEF	3559.72
dimethyl isosorbide	2437.34
tetrachloroethylene	4544.02
eugenol	1315.14
triacetin	1972.69
span 80	1804.56
1,4-butanediol	776.17
1,1-dichloroethane	6764.62
2-methyl-1-pentanol	2590.18
methyl formate	1165.96
2-methyl-1-butanol	3676.4
n-decane	376.92
butyronitrile	4843.73
3,7-dimethyl-1-octanol	1765.49
1-chlorooctane	1376.06
1-chlorotetradecane	481.47
n-nonane	423.8
undecane	249.98
tert-butylcyclohexane	683.69
cyclooctane	608.2
cyclopentanol	4112.31
tetrahydropyran	9722.3
tert-amyl methyl ether	3405.38
2,5,8-trioxanonane	2284.2
1-hexene	3572.79
2-isopropoxyethanol	1912.55
2,2,2-trifluoroethanol	692.39
methyl butyrate	3848.91

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