Molecular formula
C13H24O3

SMILES
CCCCCCCCCCOC(=O)C(=O)C

Fragrance
Fatty	61.43%
Fruity	60.14%
Waxy	56.73%
Sweet	54.52%
Oily	49.82%
Buttery	46.37%
Floral	46.23%
Creamy	46.18%
Lactonic	42.75%
Milky	39.51%

 

Flavor
Waxy	56.76%
Fruity	46.68%
Oily	46.31%
Creamy	34.41%
Green	34.16%
Fatty	33.42%
Soapy	31.65%
Mushroom	31.57%
Sweet	29.55%
Herbal	29.37%

 

Odor impact est.
High

XLogP3-AA
4.5

pKa est.
7.19 (neutral)

Molecular weight
228.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
296°C

Flash point

• 123.05 ˚C est.

• SCHEMBL6562247

Decyl 2-oxopropanoate is primarily used as a versatile beta-keto ester intermediate in organic synthesis, enabling enolate chemistry and subsequent transformations to access functionalized ketones and esters. In perfumery and cosmetics, its long decyl chain imparts lipophilicity and can make it a precursor or fixative in fragrance formulations and cosmetic esters. It is also regarded as a specialty ester in cosmetic formulations to adjust oil affinity and solvent compatibility of oil-based systems. In coatings, inks, and polymer processing, it can function as a processing additive or plasticizer-like component to improve flexibility and compatibility of resin systems. In pharmaceutical or agrochemical manufacture, it may be evaluated as a synthetic building block or intermediate under appropriate regulatory controls.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1865.96
methanol	2320.54
isopropanol	1725.21
water	0.06
ethyl acetate	3762.44
n-propanol	1614.28
acetone	4946.19
n-butanol	1391.45
acetonitrile	2541.6
DMF	3593.96
toluene	1034.37
isobutanol	1314.13
1,4-dioxane	2663.26
methyl acetate	2491.45
THF	3917.55
2-butanone	3645.62
n-pentanol	1103.5
sec-butanol	1580.22
n-hexane	220.96
ethylene glycol	105.56
NMP	2970.94
cyclohexane	519.72
DMSO	4184.64
n-butyl acetate	2273.39
n-octanol	382.39
chloroform	4000.95
n-propyl acetate	2577.57
acetic acid	1474.61
dichloromethane	4903.9
cyclohexanone	5420.78
propylene glycol	267.05
isopropyl acetate	2281.1
DMAc	2537.82
2-ethoxyethanol	1682.39
isopentanol	1462.91
n-heptane	79.74
ethyl formate	1525.96
1,2-dichloroethane	4259.69
n-hexanol	817.4
2-methoxyethanol	2338.82
isobutyl acetate	1223.44
tetrachloromethane	678.77
n-pentyl acetate	1478.92
transcutol	4777.75
n-heptanol	382.34
ethylbenzene	569.47
MIBK	1696.4
2-propoxyethanol	1465.81
tert-butanol	2245.52
MTBE	2773.45
2-butoxyethanol	893.89
propionic acid	1308.43
o-xylene	655.67
formic acid	282.55
diethyl ether	2685.1
m-xylene	700.07
p-xylene	752.64
chlorobenzene	1582.82
dimethyl carbonate	499.75
n-octane	42.81
formamide	724.6
cyclopentanone	4542.34
2-pentanone	3305.82
anisole	1063.61
cyclopentyl methyl ether	2559.16
gamma-butyrolactone	4048.42
1-methoxy-2-propanol	1945.23
pyridine	3045.02
3-pentanone	2093.4
furfural	2879.55
n-dodecane	26.69
diethylene glycol	761.76
diisopropyl ether	728.26
tert-amyl alcohol	1965.76
acetylacetone	2883.02
n-hexadecane	33.39
acetophenone	1166.29
methyl propionate	2165.46
isopentyl acetate	1862.41
trichloroethylene	6645.52
n-nonanol	327.59
cyclohexanol	1841.09
benzyl alcohol	832.09
2-ethylhexanol	584.67
isooctanol	378.91
dipropyl ether	863.39
1,2-dichlorobenzene	1461.24
ethyl lactate	566.91
propylene carbonate	1899.88
n-methylformamide	1810.61
2-pentanol	1218.94
n-pentane	152.81
1-propoxy-2-propanol	1270.01
1-methoxy-2-propyl acetate	1628.86
2-(2-methoxypropoxy) propanol	739.52
mesitylene	450.45
ε-caprolactone	3850.95
p-cymene	285.38
epichlorohydrin	4711.32
1,1,1-trichloroethane	3562.32
2-aminoethanol	436.55
morpholine-4-carbaldehyde	2435.56
sulfolane	4104.94
2,2,4-trimethylpentane	98.93
2-methyltetrahydrofuran	3797.16
n-hexyl acetate	1507.71
isooctane	72.11
2-(2-butoxyethoxy)ethanol	1129.57
sec-butyl acetate	1628.54
tert-butyl acetate	2100.68
decalin	188.4
glycerin	326.82
diglyme	2431.0
acrylic acid	795.16
isopropyl myristate	396.76
n-butyric acid	2488.22
acetyl acetate	1556.83
di(2-ethylhexyl) phthalate	321.59
ethyl propionate	2016.66
nitromethane	3734.23
1,2-diethoxyethane	2004.88
benzonitrile	1353.09
trioctyl phosphate	233.79
1-bromopropane	2372.16
gamma-valerolactone	4812.76
n-decanol	216.5
triethyl phosphate	424.31
4-methyl-2-pentanol	621.37
propionitrile	1935.33
vinylene carbonate	1506.59
1,1,2-trichlorotrifluoroethane	2381.57
DMS	932.56
cumene	339.14
2-octanol	337.79
2-hexanone	2177.86
octyl acetate	496.67
limonene	541.29
1,2-dimethoxyethane	3028.07
ethyl orthosilicate	418.26
tributyl phosphate	348.97
diacetone alcohol	1799.83
N,N-dimethylaniline	639.9
acrylonitrile	2128.15
aniline	1129.5
1,3-propanediol	857.48
bromobenzene	1798.51
dibromomethane	3298.56
1,1,2,2-tetrachloroethane	5355.53
2-methyl-cyclohexyl acetate	853.73
tetrabutyl urea	461.68
diisobutyl methanol	344.21
2-phenylethanol	677.95
styrene	786.54
dioctyl adipate	602.82
dimethyl sulfate	857.22
ethyl butyrate	1363.11
methyl lactate	610.36
butyl lactate	835.45
diethyl carbonate	721.78
propanediol butyl ether	776.83
triethyl orthoformate	727.64
p-tert-butyltoluene	270.32
methyl 4-tert-butylbenzoate	767.44
morpholine	4110.14
tert-butylamine	1304.37
n-dodecanol	154.47
dimethoxymethane	1870.64
ethylene carbonate	1420.41
cyrene	701.86
2-ethoxyethyl acetate	1557.47
2-ethylhexyl acetate	1403.63
1,2,4-trichlorobenzene	1570.36
4-methylpyridine	2906.11
dibutyl ether	930.45
2,6-dimethyl-4-heptanol	344.21
DEF	3336.77
dimethyl isosorbide	1339.71
tetrachloroethylene	3267.18
eugenol	693.26
triacetin	1077.14
span 80	691.38
1,4-butanediol	368.21
1,1-dichloroethane	3990.47
2-methyl-1-pentanol	1048.33
methyl formate	1046.18
2-methyl-1-butanol	1294.32
n-decane	56.11
butyronitrile	2174.26
3,7-dimethyl-1-octanol	453.45
1-chlorooctane	385.54
1-chlorotetradecane	109.56
n-nonane	58.13
undecane	36.31
tert-butylcyclohexane	144.45
cyclooctane	112.41
cyclopentanol	1772.44
tetrahydropyran	4179.44
tert-amyl methyl ether	1804.45
2,5,8-trioxanonane	1318.14
1-hexene	988.1
2-isopropoxyethanol	1241.82
2,2,2-trifluoroethanol	428.46
methyl butyrate	2916.84

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