Molecular formula
C10H18O2

SMILES
CCCCCCC(=O)C(=O)CC

Fragrance
Fruity	73.7%
Green	61.47%
Fatty	60.76%
Sweet	59.1%
Buttery	49.44%
Creamy	46.95%
Caramellic	45.99%
Waxy	45.38%
Cheesy	43.13%
Oily	41.98%

 

Flavor
Oily	39.56%
Fruity	37.1%
Herbal	31.87%
Cheese	30.58%
Mushroom	29.96%
Fatty	28.94%
Creamy	28.32%
Butter	27.99%
Sweet	27.39%
Buttery	25.97%

 

Odor impact est.
Medium

XLogP3-AA
2.5

pKa est.
8.46 (weak base)

Molecular weight
170.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
223°C

Flash point

• 86.29 ˚C est.

• SCHEMBL1171469

Decane-3,4-dione is typically used as an organic synthesis intermediate and building block in chemical manufacturing; it may be employed to introduce vicinal diketone functionality in routes to more complex molecules for specialty polymers, coatings, and fragrances. It can serve as a fragrance/flavor precursor in perfumery and flavor chemistry, often evaluated for use in cosmetic fragrance formulations under applicable regulations. It may be used as a precursor or reactive intermediate in the production of specialty polymers and resins, enabling crosslinking or functionalization through its diketone moiety. In coatings, inks, and adhesives formulations, it can function as a processing aid or reactive diluent, depending on solubility and formulation constraints. Overall, its applications are formulation- and regulation-dependent and it is typically employed under specific industrial contexts.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	5053.86
methanol	7328.63
isopropanol	4382.87
water	1.1
ethyl acetate	8158.64
n-propanol	4191.43
acetone	14773.55
n-butanol	4027.23
acetonitrile	9975.21
DMF	10448.19
toluene	2460.41
isobutanol	3678.49
1,4-dioxane	5842.37
methyl acetate	6029.8
THF	6202.77
2-butanone	8382.12
n-pentanol	2568.45
sec-butanol	3707.4
n-hexane	910.67
ethylene glycol	679.06
NMP	7026.31
cyclohexane	1298.18
DMSO	9435.98
n-butyl acetate	5943.28
n-octanol	1194.87
chloroform	10752.03
n-propyl acetate	5142.59
acetic acid	5968.49
dichloromethane	10741.55
cyclohexanone	11001.69
propylene glycol	895.09
isopropyl acetate	4396.64
DMAc	5147.8
2-ethoxyethanol	2990.01
isopentanol	4196.73
n-heptane	271.78
ethyl formate	4094.28
1,2-dichloroethane	9246.74
n-hexanol	2704.27
2-methoxyethanol	5330.04
isobutyl acetate	2403.52
tetrachloromethane	2076.46
n-pentyl acetate	3016.58
transcutol	11921.4
n-heptanol	1075.16
ethylbenzene	1581.31
MIBK	3390.68
2-propoxyethanol	3576.71
tert-butanol	5989.64
MTBE	6432.72
2-butoxyethanol	1984.58
propionic acid	4253.87
o-xylene	1539.47
formic acid	1592.46
diethyl ether	6042.68
m-xylene	1600.72
p-xylene	1994.08
chlorobenzene	4574.94
dimethyl carbonate	1372.54
n-octane	144.11
formamide	3274.52
cyclopentanone	9326.81
2-pentanone	7086.43
anisole	2709.16
cyclopentyl methyl ether	4468.66
gamma-butyrolactone	9200.06
1-methoxy-2-propanol	3807.0
pyridine	7351.05
3-pentanone	4786.97
furfural	6725.28
n-dodecane	92.09
diethylene glycol	2056.28
diisopropyl ether	1690.26
tert-amyl alcohol	4869.64
acetylacetone	6185.89
n-hexadecane	114.25
acetophenone	2606.8
methyl propionate	4612.15
isopentyl acetate	4517.09
trichloroethylene	15438.21
n-nonanol	951.28
cyclohexanol	4364.93
benzyl alcohol	2015.55
2-ethylhexanol	1685.39
isooctanol	965.01
dipropyl ether	2025.33
1,2-dichlorobenzene	3880.86
ethyl lactate	1083.77
propylene carbonate	4454.52
n-methylformamide	5829.13
2-pentanol	3139.15
n-pentane	541.19
1-propoxy-2-propanol	2939.07
1-methoxy-2-propyl acetate	3203.3
2-(2-methoxypropoxy) propanol	1548.19
mesitylene	1069.09
ε-caprolactone	7838.12
p-cymene	705.44
epichlorohydrin	9140.25
1,1,1-trichloroethane	8879.34
2-aminoethanol	1627.33
morpholine-4-carbaldehyde	5590.81
sulfolane	9172.36
2,2,4-trimethylpentane	305.43
2-methyltetrahydrofuran	6193.62
n-hexyl acetate	3562.11
isooctane	234.98
2-(2-butoxyethoxy)ethanol	2476.53
sec-butyl acetate	2813.55
tert-butyl acetate	3974.22
decalin	526.34
glycerin	1134.56
diglyme	4921.97
acrylic acid	3365.76
isopropyl myristate	949.62
n-butyric acid	6799.5
acetyl acetate	3681.25
di(2-ethylhexyl) phthalate	730.96
ethyl propionate	3581.04
nitromethane	12387.36
1,2-diethoxyethane	4816.84
benzonitrile	4143.52
trioctyl phosphate	587.15
1-bromopropane	5091.7
gamma-valerolactone	8931.32
n-decanol	629.5
triethyl phosphate	799.57
4-methyl-2-pentanol	1550.68
propionitrile	6084.63
vinylene carbonate	4056.47
1,1,2-trichlorotrifluoroethane	5167.54
DMS	2362.19
cumene	889.98
2-octanol	962.1
2-hexanone	4722.45
octyl acetate	1227.65
limonene	1284.26
1,2-dimethoxyethane	5894.47
ethyl orthosilicate	838.84
tributyl phosphate	907.21
diacetone alcohol	3271.55
N,N-dimethylaniline	1521.02
acrylonitrile	7473.82
aniline	3465.17
1,3-propanediol	2696.23
bromobenzene	4938.53
dibromomethane	7423.86
1,1,2,2-tetrachloroethane	11825.12
2-methyl-cyclohexyl acetate	1594.35
tetrabutyl urea	1110.3
diisobutyl methanol	923.84
2-phenylethanol	1831.67
styrene	2310.82
dioctyl adipate	1282.36
dimethyl sulfate	2234.23
ethyl butyrate	2887.9
methyl lactate	1366.62
butyl lactate	1931.67
diethyl carbonate	1555.04
propanediol butyl ether	1946.33
triethyl orthoformate	1477.98
p-tert-butyltoluene	665.87
methyl 4-tert-butylbenzoate	1528.78
morpholine	7267.3
tert-butylamine	3913.22
n-dodecanol	447.32
dimethoxymethane	3965.01
ethylene carbonate	3589.48
cyrene	1240.9
2-ethoxyethyl acetate	3406.43
2-ethylhexyl acetate	3301.28
1,2,4-trichlorobenzene	3892.7
4-methylpyridine	8075.55
dibutyl ether	2360.55
2,6-dimethyl-4-heptanol	923.84
DEF	7384.42
dimethyl isosorbide	2602.08
tetrachloroethylene	7812.45
eugenol	1535.45
triacetin	2256.26
span 80	1492.3
1,4-butanediol	1025.75
1,1-dichloroethane	9901.95
2-methyl-1-pentanol	2570.07
methyl formate	3971.41
2-methyl-1-butanol	3631.63
n-decane	186.34
butyronitrile	6649.74
3,7-dimethyl-1-octanol	1371.48
1-chlorooctane	1051.97
1-chlorotetradecane	318.53
n-nonane	199.26
undecane	125.28
tert-butylcyclohexane	446.4
cyclooctane	302.64
cyclopentanol	3706.47
tetrahydropyran	7452.93
tert-amyl methyl ether	3640.13
2,5,8-trioxanonane	2552.26
1-hexene	2904.75
2-isopropoxyethanol	2285.94
2,2,2-trifluoroethanol	1724.28
methyl butyrate	5733.91

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