Molecular formula
C15H26O2

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

Fragrance
Floral	77.89%
Rose	74.91%
Herbal	56.9%
Fruity	56.03%
Citrus	49.32%
Sweet	48.49%
Geranium	42.89%
Green	42.33%
Apple	38.34%
Fresh	36.86%

 

Flavor
Green	50.69%
Fruity	49.91%
Floral	46.05%
Rose	43.64%
Sweet	41.54%
Bitter	36.24%
Geranium	34.97%
Herbal	34.42%
Tropical	33.39%
Waxy	32.01%

 

Odor impact est.
Medium

XLogP3-AA
5.1

pKa est.
8.22 (weak base)

Molecular weight
238.37 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
280°C

Flash point

• 119.75 ˚C est.

• DTXSID70867480
• 3-methylbutyl 3,7-dimethylocta-2,6-dienoate

3-Methylbutyl 3,7-dimethylocta-2,6-dienoate is commonly used as a fragrance ingredient, acting as a component and a fixative to help sustain aroma in perfumery and cosmetics. It is also considered for flavor/aroma applications in food and beverage formulations where permitted, and may appear in industrial fragrance development. Additionally, the ester can serve as a scent component in household cleaners and consumer care products. In polymer and coating contexts, it can function as a plasticizer or processing aid and may be present in inks, coatings, and adhesives as an odor-related additive or processing aid. It may also be used as an intermediate in fragrance synthesis for industrial-scale formulation. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1122.26
methanol	838.45
isopropanol	1018.31
water	0.16
ethyl acetate	973.08
n-propanol	798.91
acetone	1055.85
n-butanol	916.44
acetonitrile	540.48
DMF	781.56
toluene	457.55
isobutanol	686.18
1,4-dioxane	1568.81
methyl acetate	633.67
THF	2411.3
2-butanone	948.96
n-pentanol	625.89
sec-butanol	945.04
n-hexane	238.92
ethylene glycol	55.07
NMP	842.41
cyclohexane	357.03
DMSO	699.71
n-butyl acetate	886.7
n-octanol	405.67
chloroform	2210.83
n-propyl acetate	608.07
acetic acid	642.1
dichloromethane	1653.22
cyclohexanone	1436.31
propylene glycol	240.0
isopropyl acetate	656.42
DMAc	774.14
2-ethoxyethanol	567.8
isopentanol	849.37
n-heptane	124.49
ethyl formate	422.92
1,2-dichloroethane	1077.2
n-hexanol	899.87
2-methoxyethanol	915.0
isobutyl acetate	448.31
tetrachloromethane	266.75
n-pentyl acetate	505.99
transcutol	2471.74
n-heptanol	363.78
ethylbenzene	315.49
MIBK	548.67
2-propoxyethanol	931.05
tert-butanol	1296.84
MTBE	1102.04
2-butoxyethanol	540.8
propionic acid	452.48
o-xylene	308.1
formic acid	106.69
diethyl ether	900.01
m-xylene	372.12
p-xylene	441.2
chlorobenzene	616.98
dimethyl carbonate	159.42
n-octane	55.07
formamide	151.37
cyclopentanone	1242.1
2-pentanone	830.31
anisole	520.4
cyclopentyl methyl ether	979.77
gamma-butyrolactone	1105.81
1-methoxy-2-propanol	898.06
pyridine	997.35
3-pentanone	525.46
furfural	814.21
n-dodecane	42.45
diethylene glycol	432.41
diisopropyl ether	335.34
tert-amyl alcohol	1061.64
acetylacetone	785.25
n-hexadecane	49.48
acetophenone	459.01
methyl propionate	516.92
isopentyl acetate	824.75
trichloroethylene	1883.73
n-nonanol	360.88
cyclohexanol	983.17
benzyl alcohol	424.54
2-ethylhexanol	523.42
isooctanol	308.69
dipropyl ether	539.82
1,2-dichlorobenzene	541.11
ethyl lactate	250.01
propylene carbonate	726.59
n-methylformamide	295.3
2-pentanol	775.57
n-pentane	145.68
1-propoxy-2-propanol	849.07
1-methoxy-2-propyl acetate	742.61
2-(2-methoxypropoxy) propanol	606.95
mesitylene	260.45
ε-caprolactone	1118.05
p-cymene	229.89
epichlorohydrin	1513.79
1,1,1-trichloroethane	1178.23
2-aminoethanol	231.72
morpholine-4-carbaldehyde	952.01
sulfolane	1026.82
2,2,4-trimethylpentane	96.5
2-methyltetrahydrofuran	1825.33
n-hexyl acetate	805.41
isooctane	82.1
2-(2-butoxyethoxy)ethanol	837.69
sec-butyl acetate	475.34
tert-butyl acetate	717.85
decalin	153.26
glycerin	215.79
diglyme	1222.4
acrylic acid	276.14
isopropyl myristate	324.73
n-butyric acid	988.02
acetyl acetate	493.53
di(2-ethylhexyl) phthalate	273.89
ethyl propionate	495.14
nitromethane	720.52
1,2-diethoxyethane	871.68
benzonitrile	518.79
trioctyl phosphate	201.79
1-bromopropane	784.83
gamma-valerolactone	1480.24
n-decanol	267.65
triethyl phosphate	238.18
4-methyl-2-pentanol	426.07
propionitrile	471.22
vinylene carbonate	538.65
1,1,2-trichlorotrifluoroethane	756.17
DMS	417.02
cumene	232.89
2-octanol	294.5
2-hexanone	649.55
octyl acetate	405.82
limonene	382.62
1,2-dimethoxyethane	1050.92
ethyl orthosilicate	243.7
tributyl phosphate	265.51
diacetone alcohol	747.27
N,N-dimethylaniline	349.54
acrylonitrile	396.75
aniline	530.07
1,3-propanediol	505.17
bromobenzene	672.57
dibromomethane	1241.85
1,1,2,2-tetrachloroethane	1805.73
2-methyl-cyclohexyl acetate	516.51
tetrabutyl urea	321.95
diisobutyl methanol	309.22
2-phenylethanol	517.37
styrene	364.6
dioctyl adipate	420.77
dimethyl sulfate	209.61
ethyl butyrate	564.23
methyl lactate	245.4
butyl lactate	400.07
diethyl carbonate	352.7
propanediol butyl ether	585.75
triethyl orthoformate	398.36
p-tert-butyltoluene	228.64
methyl 4-tert-butylbenzoate	470.61
morpholine	2060.53
tert-butylamine	814.21
n-dodecanol	206.32
dimethoxymethane	608.02
ethylene carbonate	520.27
cyrene	432.52
2-ethoxyethyl acetate	613.61
2-ethylhexyl acetate	626.93
1,2,4-trichlorobenzene	647.99
4-methylpyridine	1081.28
dibutyl ether	564.41
2,6-dimethyl-4-heptanol	309.22
DEF	671.29
dimethyl isosorbide	914.43
tetrachloroethylene	932.59
eugenol	440.21
triacetin	570.58
span 80	649.38
1,4-butanediol	178.71
1,1-dichloroethane	1265.19
2-methyl-1-pentanol	634.41
methyl formate	220.1
2-methyl-1-butanol	754.85
n-decane	72.61
butyronitrile	758.72
3,7-dimethyl-1-octanol	438.62
1-chlorooctane	300.46
1-chlorotetradecane	125.69
n-nonane	74.2
undecane	53.4
tert-butylcyclohexane	144.5
cyclooctane	105.22
cyclopentanol	817.27
tetrahydropyran	2094.52
tert-amyl methyl ether	701.78
2,5,8-trioxanonane	843.07
1-hexene	611.88
2-isopropoxyethanol	484.67
2,2,2-trifluoroethanol	136.99
methyl butyrate	684.11

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