Molecular formula
C12H24O2

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

Fragrance
Floral	66.41%
Fruity	65.14%
Sweet	53.65%
Waxy	52.38%
Herbal	51.46%
Rose	49.12%
Oily	47.61%
Woody	46.25%
Green	40.25%
Fresh	39.53%

 

Flavor
Oily	39.87%
Waxy	37.87%
Floral	35.06%
Fruity	25.8%
Woody	25.3%
Soapy	24.89%
Green	24.2%
Mild	23.92%
Herbal	23.8%
Citrus	23.75%

 

Odor impact est.
High

XLogP3-AA
4.2

pKa est.
8.7 (weak base)

Molecular weight
200.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
230°C

Flash point

• 91.61 ˚C est.

• Methyl 4,8-dimethylnonanoate
• SCHEMBL11949396
• WEIBMHOLQRGQPU-UHFFFAOYSA-N

Methyl 4,8-dimethylnonanoate is mainly encountered as a fragrance-related ester used as an aroma chemical in perfumery; it can be used as a fragrance ingredient in cosmetics/personal care products and as a scent component in household products; it may function as a plasticizer or processing aid in certain polymers/plastics; it can serve as a solvent or additive in coatings and inks; in industrial manufacturing it is often considered an intermediate for fragrance synthesis or related formulation components, with use dependent on formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	4451.89
methanol	3928.37
isopropanol	3605.99
water	0.19
ethyl acetate	2572.27
n-propanol	2924.31
acetone	2507.53
n-butanol	2604.74
acetonitrile	1616.4
DMF	1307.5
toluene	821.66
isobutanol	1958.6
1,4-dioxane	3830.83
methyl acetate	1446.36
THF	4209.56
2-butanone	1968.92
n-pentanol	1832.8
sec-butanol	2419.4
n-hexane	317.98
ethylene glycol	204.31
NMP	823.31
cyclohexane	498.95
DMSO	1410.4
n-butyl acetate	1907.41
n-octanol	488.85
chloroform	3433.59
n-propyl acetate	1496.71
acetic acid	1343.02
dichloromethane	2640.02
cyclohexanone	2453.37
propylene glycol	576.17
isopropyl acetate	1481.4
DMAc	927.01
2-ethoxyethanol	2027.09
isopentanol	2103.6
n-heptane	135.97
ethyl formate	1176.04
1,2-dichloroethane	1756.66
n-hexanol	1889.41
2-methoxyethanol	2912.52
isobutyl acetate	860.56
tetrachloromethane	541.1
n-pentyl acetate	826.03
transcutol	4123.45
n-heptanol	566.11
ethylbenzene	451.99
MIBK	1000.67
2-propoxyethanol	2183.19
tert-butanol	3827.03
MTBE	2825.27
2-butoxyethanol	1026.67
propionic acid	1000.86
o-xylene	445.3
formic acid	281.65
diethyl ether	2653.75
m-xylene	534.68
p-xylene	579.05
chlorobenzene	866.97
dimethyl carbonate	183.65
n-octane	45.93
formamide	406.4
cyclopentanone	1818.83
2-pentanone	1817.08
anisole	856.8
cyclopentyl methyl ether	1745.55
gamma-butyrolactone	1623.19
1-methoxy-2-propanol	2211.6
pyridine	2088.51
3-pentanone	861.07
furfural	1370.78
n-dodecane	28.09
diethylene glycol	955.58
diisopropyl ether	602.35
tert-amyl alcohol	2464.49
acetylacetone	1333.95
n-hexadecane	33.28
acetophenone	653.4
methyl propionate	990.62
isopentyl acetate	1611.45
trichloroethylene	2754.3
n-nonanol	412.16
cyclohexanol	1978.82
benzyl alcohol	778.61
2-ethylhexanol	987.94
isooctanol	468.25
dipropyl ether	1168.02
1,2-dichlorobenzene	671.37
ethyl lactate	429.03
propylene carbonate	996.3
n-methylformamide	802.28
2-pentanol	1733.98
n-pentane	213.47
1-propoxy-2-propanol	1753.96
1-methoxy-2-propyl acetate	1275.6
2-(2-methoxypropoxy) propanol	719.32
mesitylene	304.59
ε-caprolactone	2128.71
p-cymene	269.31
epichlorohydrin	2448.89
1,1,1-trichloroethane	1851.14
2-aminoethanol	853.66
morpholine-4-carbaldehyde	1585.45
sulfolane	1273.11
2,2,4-trimethylpentane	99.23
2-methyltetrahydrofuran	3386.3
n-hexyl acetate	997.94
isooctane	87.57
2-(2-butoxyethoxy)ethanol	1133.71
sec-butyl acetate	1071.59
tert-butyl acetate	1348.4
decalin	159.18
glycerin	480.93
diglyme	2041.23
acrylic acid	549.81
isopropyl myristate	310.62
n-butyric acid	2364.77
acetyl acetate	880.28
di(2-ethylhexyl) phthalate	288.36
ethyl propionate	1029.24
nitromethane	1486.56
1,2-diethoxyethane	1651.96
benzonitrile	986.86
trioctyl phosphate	207.04
1-bromopropane	1542.74
gamma-valerolactone	2773.79
n-decanol	280.55
triethyl phosphate	305.1
4-methyl-2-pentanol	833.31
propionitrile	1445.57
vinylene carbonate	829.29
1,1,2-trichlorotrifluoroethane	1353.78
DMS	445.61
cumene	285.45
2-octanol	403.57
2-hexanone	1419.21
octyl acetate	381.93
limonene	474.29
1,2-dimethoxyethane	2898.01
ethyl orthosilicate	346.61
tributyl phosphate	270.43
diacetone alcohol	1308.23
N,N-dimethylaniline	452.03
acrylonitrile	1162.17
aniline	1039.71
1,3-propanediol	1469.05
bromobenzene	903.02
dibromomethane	1968.49
1,1,2,2-tetrachloroethane	2397.49
2-methyl-cyclohexyl acetate	692.46
tetrabutyl urea	301.04
diisobutyl methanol	482.84
2-phenylethanol	791.77
styrene	577.68
dioctyl adipate	459.43
dimethyl sulfate	225.35
ethyl butyrate	1149.39
methyl lactate	368.32
butyl lactate	555.78
diethyl carbonate	578.79
propanediol butyl ether	813.58
triethyl orthoformate	692.06
p-tert-butyltoluene	265.8
methyl 4-tert-butylbenzoate	511.23
morpholine	5435.83
tert-butylamine	2345.45
n-dodecanol	198.16
dimethoxymethane	1074.91
ethylene carbonate	802.04
cyrene	531.51
2-ethoxyethyl acetate	997.18
2-ethylhexyl acetate	1148.45
1,2,4-trichlorobenzene	776.52
4-methylpyridine	2007.15
dibutyl ether	796.03
2,6-dimethyl-4-heptanol	482.84
DEF	1372.01
dimethyl isosorbide	1025.69
tetrachloroethylene	1454.02
eugenol	515.39
triacetin	653.89
span 80	728.35
1,4-butanediol	533.6
1,1-dichloroethane	2259.83
2-methyl-1-pentanol	1387.48
methyl formate	445.67
2-methyl-1-butanol	1711.22
n-decane	60.69
butyronitrile	2137.65
3,7-dimethyl-1-octanol	576.92
1-chlorooctane	306.62
1-chlorotetradecane	94.07
n-nonane	62.93
undecane	38.76
tert-butylcyclohexane	158.66
cyclooctane	107.39
cyclopentanol	1610.11
tetrahydropyran	4814.49
tert-amyl methyl ether	1482.82
2,5,8-trioxanonane	1131.46
1-hexene	1254.73
2-isopropoxyethanol	1350.92
2,2,2-trifluoroethanol	225.38
methyl butyrate	1507.54

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