Molecular formula
C15H26O2

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

Fragrance
Fruity	77.83%
Herbal	60.67%
Sweet	53.99%
Citrus	39.22%
Woody	36.17%
Rose	34.82%
Tropical	34.58%
Floral	34.32%
Spicy	34.27%
Bergamot	32.97%

 

Flavor
Fruity	47.36%
Herbal	43.84%
Green	35.7%
Sweet	34.85%
Tropical	28.98%
Bergamot	27.0%
Berry	25.77%
Bitter	25.44%
Herb	24.68%
Woody	23.81%

 

Odor impact est.
Medium

XLogP3-AA
4.8

pKa est.
7.6 (neutral)

Molecular weight
238.37 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
253°C

Flash point

• 114.36 ˚C est.

• ISOVALERIC ACID (4,7-DIMETHYL-1,6-OCTADIEN-3-YL) ESTER
• SCHEMBL1532663

Isovaleric acid (4,7-dimethyl-1,6-octadien-3-YL) ester is primarily used as a fragrance ingredient and odorant in perfumery and personal care products, helping to shape distinctive scent notes. It may serve as a component in commercial fragrance systems and can be evaluated for aroma applications in food-related formulations under applicable regulations. In household and cleaning applications, this ester appears as a fragrance additive in products such as detergents and surface cleaners to enhance perceived freshness. In industrial manufacturing, it can function as a solvent or intermediate in the synthesis of more complex chemicals and may be considered as an aroma additive for polymer or plastics formulations depending on formulation and process requirements. Applications are subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2401.92
methanol	1799.48
isopropanol	2816.53
water	0.63
ethyl acetate	2646.44
n-propanol	2246.43
acetone	3325.72
n-butanol	2573.08
acetonitrile	1520.66
DMF	2572.99
toluene	1630.33
isobutanol	2549.7
1,4-dioxane	3264.58
methyl acetate	1870.41
THF	5030.33
2-butanone	2766.72
n-pentanol	1975.12
sec-butanol	3320.54
n-hexane	1568.4
ethylene glycol	176.0
NMP	2570.12
cyclohexane	1716.43
DMSO	1596.27
n-butyl acetate	2651.19
n-octanol	1344.89
chloroform	5357.22
n-propyl acetate	1639.95
acetic acid	1976.03
dichloromethane	3578.76
cyclohexanone	4447.54
propylene glycol	540.69
isopropyl acetate	2202.61
DMAc	2730.43
2-ethoxyethanol	1387.44
isopentanol	2905.79
n-heptane	504.64
ethyl formate	1179.37
1,2-dichloroethane	2809.29
n-hexanol	2868.09
2-methoxyethanol	1840.53
isobutyl acetate	1303.51
tetrachloromethane	1029.06
n-pentyl acetate	1619.19
transcutol	4194.0
n-heptanol	1198.34
ethylbenzene	1140.63
MIBK	1951.17
2-propoxyethanol	2425.54
tert-butanol	4088.99
MTBE	4811.18
2-butoxyethanol	1418.1
propionic acid	1444.74
o-xylene	1152.62
formic acid	330.63
diethyl ether	3078.53
m-xylene	1277.97
p-xylene	1567.6
chlorobenzene	1766.45
dimethyl carbonate	563.82
n-octane	260.39
formamide	379.93
cyclopentanone	3353.2
2-pentanone	2621.64
anisole	1414.29
cyclopentyl methyl ether	2955.16
gamma-butyrolactone	2917.91
1-methoxy-2-propanol	1862.49
pyridine	2259.89
3-pentanone	1866.15
furfural	1915.37
n-dodecane	172.55
diethylene glycol	1001.78
diisopropyl ether	1472.14
tert-amyl alcohol	4128.97
acetylacetone	2246.4
n-hexadecane	195.64
acetophenone	1247.48
methyl propionate	1533.64
isopentyl acetate	2765.84
trichloroethylene	4792.22
n-nonanol	1124.27
cyclohexanol	3173.35
benzyl alcohol	1077.35
2-ethylhexanol	1646.87
isooctanol	1063.26
dipropyl ether	1511.07
1,2-dichlorobenzene	1484.03
ethyl lactate	595.4
propylene carbonate	1893.62
n-methylformamide	921.33
2-pentanol	2627.94
n-pentane	970.09
1-propoxy-2-propanol	1990.98
1-methoxy-2-propyl acetate	1811.33
2-(2-methoxypropoxy) propanol	1198.14
mesitylene	874.08
ε-caprolactone	3402.71
p-cymene	648.03
epichlorohydrin	3425.86
1,1,1-trichloroethane	3830.2
2-aminoethanol	570.45
morpholine-4-carbaldehyde	2275.7
sulfolane	2624.53
2,2,4-trimethylpentane	543.74
2-methyltetrahydrofuran	4549.39
n-hexyl acetate	2533.33
isooctane	419.86
2-(2-butoxyethoxy)ethanol	1678.49
sec-butyl acetate	1531.82
tert-butyl acetate	2344.36
decalin	708.68
glycerin	518.97
diglyme	2509.9
acrylic acid	967.99
isopropyl myristate	883.9
n-butyric acid	2858.03
acetyl acetate	1432.38
di(2-ethylhexyl) phthalate	643.15
ethyl propionate	1319.89
nitromethane	1969.63
1,2-diethoxyethane	2037.52
benzonitrile	1349.63
trioctyl phosphate	527.4
1-bromopropane	2609.54
gamma-valerolactone	3363.83
n-decanol	798.04
triethyl phosphate	550.35
4-methyl-2-pentanol	1557.03
propionitrile	1457.8
vinylene carbonate	1406.0
1,1,2-trichlorotrifluoroethane	2076.86
DMS	1161.65
cumene	802.88
2-octanol	1111.54
2-hexanone	1970.16
octyl acetate	1081.06
limonene	1194.41
1,2-dimethoxyethane	2682.79
ethyl orthosilicate	615.02
tributyl phosphate	663.62
diacetone alcohol	2048.92
N,N-dimethylaniline	1068.39
acrylonitrile	1163.48
aniline	1347.06
1,3-propanediol	1134.34
bromobenzene	1912.63
dibromomethane	3000.55
1,1,2,2-tetrachloroethane	4762.14
2-methyl-cyclohexyl acetate	1265.32
tetrabutyl urea	805.77
diisobutyl methanol	956.6
2-phenylethanol	1331.89
styrene	1215.04
dioctyl adipate	974.79
dimethyl sulfate	765.06
ethyl butyrate	1369.14
methyl lactate	635.79
butyl lactate	1072.74
diethyl carbonate	860.82
propanediol butyl ether	1331.89
triethyl orthoformate	966.7
p-tert-butyltoluene	631.02
methyl 4-tert-butylbenzoate	1154.05
morpholine	3724.73
tert-butylamine	3058.83
n-dodecanol	599.83
dimethoxymethane	1533.7
ethylene carbonate	1423.65
cyrene	879.6
2-ethoxyethyl acetate	1480.73
2-ethylhexyl acetate	2058.1
1,2,4-trichlorobenzene	1730.55
4-methylpyridine	2944.6
dibutyl ether	1837.83
2,6-dimethyl-4-heptanol	956.6
DEF	2387.37
dimethyl isosorbide	1772.8
tetrachloroethylene	2871.38
eugenol	978.79
triacetin	1364.21
span 80	1256.99
1,4-butanediol	516.05
1,1-dichloroethane	3836.95
2-methyl-1-pentanol	2203.81
methyl formate	768.48
2-methyl-1-butanol	2746.47
n-decane	325.25
butyronitrile	2190.79
3,7-dimethyl-1-octanol	1418.14
1-chlorooctane	1081.5
1-chlorotetradecane	414.84
n-nonane	359.12
undecane	223.63
tert-butylcyclohexane	666.7
cyclooctane	537.5
cyclopentanol	2387.74
tetrahydropyran	4929.14
tert-amyl methyl ether	3224.19
2,5,8-trioxanonane	1512.87
1-hexene	2703.29
2-isopropoxyethanol	1276.9
2,2,2-trifluoroethanol	526.29
methyl butyrate	1881.05

Scent© AI