Molecular formula
C16H32O2

SMILES
CCCCCCCCCCOC(=O)CCC(C)C

Fragrance
Oily	71.99%
Fruity	67.16%
Fatty	54.65%
Winey	51.67%
Waxy	47.65%
Cognac	44.27%
Herbal	44.04%
Floral	40.67%
Fermented	36.31%
Rose	35.96%

 

Flavor
Waxy	59.15%
Oily	54.72%
Fruity	46.77%
Floral	43.58%
Soapy	41.72%
Fatty	36.23%
Sweet	33.97%
Green	33.54%
Mild	33.16%
Clean	30.73%

 

Odor impact est.
Medium

XLogP3-AA
6.1

pKa est.
7.5 (neutral)

Molecular weight
256.42 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
303°C

Flash point

• 132.09 ˚C est.

• SCHEMBL889133

Decyl 4-methylpentanoate is a long-chain branched fatty ester commonly used in perfumery and cosmetics as a fragrance ingredient and emollient; it can act as a solvent for fragrance oils and as a vehicle that enhances slip in personal care formulations; in household products it serves as a fragrance solvent and conditioning component; in coatings and plastics it may function as a processing aid or plasticizer in certain polymer systems; and in industrial manufacturing it is often evaluated as an intermediate for fragrance-related syntheses.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3003.23
methanol	2318.18
isopropanol	3140.76
water	0.04
ethyl acetate	4489.74
n-propanol	2709.05
acetone	4398.77
n-butanol	2792.63
acetonitrile	1911.82
DMF	2757.38
toluene	1579.74
isobutanol	2238.19
1,4-dioxane	3676.75
methyl acetate	2426.95
THF	6057.41
2-butanone	3804.0
n-pentanol	1905.76
sec-butanol	2766.41
n-hexane	912.68
ethylene glycol	79.73
NMP	2322.54
cyclohexane	1747.76
DMSO	2638.9
n-butyl acetate	4071.75
n-octanol	868.31
chloroform	5578.58
n-propyl acetate	3461.54
acetic acid	1209.75
dichloromethane	5240.16
cyclohexanone	6375.33
propylene glycol	283.09
isopropyl acetate	3340.56
DMAc	2515.81
2-ethoxyethanol	1845.25
isopentanol	2883.72
n-heptane	435.88
ethyl formate	1678.06
1,2-dichloroethane	4374.22
n-hexanol	1911.76
2-methoxyethanol	2355.47
isobutyl acetate	2161.55
tetrachloromethane	1028.69
n-pentyl acetate	2538.11
transcutol	5504.98
n-heptanol	891.92
ethylbenzene	983.09
MIBK	2525.08
2-propoxyethanol	2341.89
tert-butanol	3579.62
MTBE	4787.45
2-butoxyethanol	1575.43
propionic acid	1257.17
o-xylene	1018.27
formic acid	164.67
diethyl ether	4386.8
m-xylene	1039.37
p-xylene	1381.75
chlorobenzene	2035.37
dimethyl carbonate	408.31
n-octane	163.17
formamide	312.06
cyclopentanone	4257.14
2-pentanone	4053.25
anisole	1544.73
cyclopentyl methyl ether	3387.06
gamma-butyrolactone	3296.73
1-methoxy-2-propanol	2268.38
pyridine	3618.62
3-pentanone	2262.58
furfural	2476.23
n-dodecane	85.08
diethylene glycol	800.95
diisopropyl ether	1427.48
tert-amyl alcohol	2962.73
acetylacetone	2995.05
n-hexadecane	105.98
acetophenone	1480.46
methyl propionate	2012.86
isopentyl acetate	3721.02
trichloroethylene	6151.0
n-nonanol	761.26
cyclohexanol	3180.74
benzyl alcohol	1050.83
2-ethylhexanol	1491.29
isooctanol	873.12
dipropyl ether	2481.97
1,2-dichlorobenzene	1877.92
ethyl lactate	755.86
propylene carbonate	2186.77
n-methylformamide	1091.58
2-pentanol	2283.56
n-pentane	541.84
1-propoxy-2-propanol	2329.08
1-methoxy-2-propyl acetate	2313.7
2-(2-methoxypropoxy) propanol	1163.1
mesitylene	706.96
ε-caprolactone	4593.04
p-cymene	617.0
epichlorohydrin	4444.03
1,1,1-trichloroethane	4420.85
2-aminoethanol	415.23
morpholine-4-carbaldehyde	2479.63
sulfolane	3215.02
2,2,4-trimethylpentane	252.18
2-methyltetrahydrofuran	5549.13
n-hexyl acetate	2655.83
isooctane	202.9
2-(2-butoxyethoxy)ethanol	1679.89
sec-butyl acetate	2674.49
tert-butyl acetate	3159.69
decalin	493.93
glycerin	287.07
diglyme	3528.4
acrylic acid	642.28
isopropyl myristate	820.23
n-butyric acid	3447.18
acetyl acetate	1804.07
di(2-ethylhexyl) phthalate	579.93
ethyl propionate	2642.5
nitromethane	2194.71
1,2-diethoxyethane	3249.31
benzonitrile	1830.85
trioctyl phosphate	446.51
1-bromopropane	3568.68
gamma-valerolactone	5178.92
n-decanol	493.8
triethyl phosphate	719.78
4-methyl-2-pentanol	1318.51
propionitrile	2112.85
vinylene carbonate	1638.53
1,1,2-trichlorotrifluoroethane	2095.29
DMS	1122.75
cumene	648.93
2-octanol	776.27
2-hexanone	3143.69
octyl acetate	959.27
limonene	1181.41
1,2-dimethoxyethane	4327.12
ethyl orthosilicate	776.76
tributyl phosphate	623.45
diacetone alcohol	2209.85
N,N-dimethylaniline	969.44
acrylonitrile	1678.32
aniline	1433.69
1,3-propanediol	1051.95
bromobenzene	2310.83
dibromomethane	3934.8
1,1,2,2-tetrachloroethane	5640.9
2-methyl-cyclohexyl acetate	1578.26
tetrabutyl urea	787.27
diisobutyl methanol	907.09
2-phenylethanol	1099.39
styrene	1285.33
dioctyl adipate	1121.8
dimethyl sulfate	574.51
ethyl butyrate	2699.92
methyl lactate	554.38
butyl lactate	1301.88
diethyl carbonate	1269.84
propanediol butyl ether	1078.99
triethyl orthoformate	1597.77
p-tert-butyltoluene	568.63
methyl 4-tert-butylbenzoate	1184.08
morpholine	5634.28
tert-butylamine	2338.46
n-dodecanol	352.1
dimethoxymethane	1801.13
ethylene carbonate	1818.67
cyrene	820.05
2-ethoxyethyl acetate	2310.42
2-ethylhexyl acetate	2778.6
1,2,4-trichlorobenzene	1906.55
4-methylpyridine	3779.72
dibutyl ether	2280.81
2,6-dimethyl-4-heptanol	907.09
DEF	3347.63
dimethyl isosorbide	1810.85
tetrachloroethylene	3373.09
eugenol	1043.02
triacetin	1594.29
span 80	1182.54
1,4-butanediol	400.25
1,1-dichloroethane	4906.32
2-methyl-1-pentanol	1764.0
methyl formate	654.52
2-methyl-1-butanol	2335.17
n-decane	196.61
butyronitrile	3114.11
3,7-dimethyl-1-octanol	1052.62
1-chlorooctane	853.35
1-chlorotetradecane	268.82
n-nonane	210.17
undecane	120.83
tert-butylcyclohexane	409.18
cyclooctane	375.26
cyclopentanol	2395.29
tetrahydropyran	7498.85
tert-amyl methyl ether	2780.74
2,5,8-trioxanonane	1892.07
1-hexene	2592.53
2-isopropoxyethanol	1635.08
2,2,2-trifluoroethanol	284.47
methyl butyrate	3971.47

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