Molecular formula
C12H18N2O3

SMILES
CCC1(C(=O)NC(=O)NC1=O)C2CCCCC2

Fragrance
Spicy	36.19%
Odorless	32.5%
Herbal	29.25%
Mint	26.88%
Green	24.05%
Cooling	24.04%
Sweet	22.72%
Nutty	21.51%
Woody	20.18%
Fruity	18.3%

 

Flavor
Bitter	73.81%
Cedarleaf	21.28%
Odorless	20.77%
Lovage	20.57%
Nitrile	19.46%
Basil	19.4%
Ripe apricot	18.99%
Leaves	18.96%
Red fruit	18.83%
Sweet-like	18.77%

 

Odor impact est.
Odorless

XLogP3-AA
2.3

pKa est.
7.63 (neutral)

Molecular weight
238.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
424°C

Flash point

• 178.22 ˚C est.

• 5-Cyclohexyl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione
• SCHEMBL2779134
• cyclohexyl-5-ethyl-barbituric acid
• 5-Cyclohexyl-5-ethylbarbituric acid form II

Cyclohexyl-5-ethyl-barbituric acid is commonly used as an intermediate and building block in the synthesis of barbiturate pharmaceuticals and related heterocyclic compounds; it serves as a building block in medicinal chemistry research for exploring barbiturate-type scaffolds; it is a starting material for preparing cyclohexyl- and ethyl-substituted derivatives in laboratory settings; it functions as an analytical reference material or reagent for pharmacochemical analysis; and it can act as a precursor in process chemistry and exploratory synthetic routes within industrial research.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	17.85
methanol	28.1
isopropanol	17.04
water	0.07
ethyl acetate	28.65
n-propanol	19.98
acetone	59.28
n-butanol	19.82
acetonitrile	16.79
DMF	199.82
toluene	16.06
isobutanol	14.61
1,4-dioxane	51.46
methyl acetate	34.47
THF	218.43
2-butanone	58.96
n-pentanol	12.31
sec-butanol	15.22
n-hexane	0.29
ethylene glycol	10.06
NMP	315.4
cyclohexane	0.75
DMSO	307.95
n-butyl acetate	24.58
n-octanol	3.26
chloroform	103.73
n-propyl acetate	16.38
acetic acid	38.04
dichloromethane	105.25
cyclohexanone	131.27
propylene glycol	19.08
isopropyl acetate	20.73
DMAc	163.76
2-ethoxyethanol	25.03
isopentanol	18.5
n-heptane	0.19
ethyl formate	27.75
1,2-dichloroethane	73.01
n-hexanol	12.93
2-methoxyethanol	72.89
isobutyl acetate	11.07
tetrachloromethane	7.39
n-pentyl acetate	15.23
transcutol	24.78
n-heptanol	6.19
ethylbenzene	5.9
MIBK	25.95
2-propoxyethanol	45.81
tert-butanol	18.89
MTBE	7.81
2-butoxyethanol	20.93
propionic acid	36.29
o-xylene	10.32
formic acid	20.81
diethyl ether	7.31
m-xylene	11.19
p-xylene	8.58
chlorobenzene	35.17
dimethyl carbonate	26.96
n-octane	0.11
formamide	38.45
cyclopentanone	254.46
2-pentanone	44.39
anisole	15.77
cyclopentyl methyl ether	36.52
gamma-butyrolactone	256.8
1-methoxy-2-propanol	58.05
pyridine	85.33
3-pentanone	29.69
furfural	162.15
n-dodecane	0.13
diethylene glycol	42.1
diisopropyl ether	2.37
tert-amyl alcohol	15.78
acetylacetone	64.72
n-hexadecane	0.17
acetophenone	28.24
methyl propionate	39.9
isopentyl acetate	24.24
trichloroethylene	176.5
n-nonanol	3.66
cyclohexanol	22.14
benzyl alcohol	25.83
2-ethylhexanol	7.38
isooctanol	5.37
dipropyl ether	4.12
1,2-dichlorobenzene	33.67
ethyl lactate	18.02
propylene carbonate	100.93
n-methylformamide	72.16
2-pentanol	9.88
n-pentane	0.29
1-propoxy-2-propanol	25.81
1-methoxy-2-propyl acetate	41.1
2-(2-methoxypropoxy) propanol	23.23
mesitylene	6.15
ε-caprolactone	93.81
p-cymene	4.93
epichlorohydrin	214.03
1,1,1-trichloroethane	41.5
2-aminoethanol	20.05
morpholine-4-carbaldehyde	133.1
sulfolane	370.12
2,2,4-trimethylpentane	0.36
2-methyltetrahydrofuran	77.71
n-hexyl acetate	15.39
isooctane	0.29
2-(2-butoxyethoxy)ethanol	21.44
sec-butyl acetate	12.07
tert-butyl acetate	25.12
decalin	0.67
glycerin	37.6
diglyme	38.11
acrylic acid	43.82
isopropyl myristate	5.61
n-butyric acid	46.87
acetyl acetate	23.31
di(2-ethylhexyl) phthalate	15.02
ethyl propionate	17.66
nitromethane	81.62
1,2-diethoxyethane	8.66
benzonitrile	36.13
trioctyl phosphate	8.75
1-bromopropane	17.05
gamma-valerolactone	220.6
n-decanol	2.81
triethyl phosphate	13.05
4-methyl-2-pentanol	7.7
propionitrile	20.82
vinylene carbonate	76.78
1,1,2-trichlorotrifluoroethane	111.96
DMS	28.08
cumene	4.49
2-octanol	3.58
2-hexanone	21.02
octyl acetate	8.57
limonene	6.16
1,2-dimethoxyethane	40.69
ethyl orthosilicate	9.87
tributyl phosphate	9.9
diacetone alcohol	51.7
N,N-dimethylaniline	11.99
acrylonitrile	41.25
aniline	33.98
1,3-propanediol	35.64
bromobenzene	31.61
dibromomethane	52.89
1,1,2,2-tetrachloroethane	125.65
2-methyl-cyclohexyl acetate	19.81
tetrabutyl urea	15.64
diisobutyl methanol	4.27
2-phenylethanol	26.33
styrene	6.87
dioctyl adipate	12.76
dimethyl sulfate	75.31
ethyl butyrate	15.45
methyl lactate	40.83
butyl lactate	18.52
diethyl carbonate	12.48
propanediol butyl ether	15.83
triethyl orthoformate	11.37
p-tert-butyltoluene	4.55
methyl 4-tert-butylbenzoate	29.26
morpholine	72.49
tert-butylamine	5.7
n-dodecanol	2.05
dimethoxymethane	61.56
ethylene carbonate	59.79
cyrene	52.05
2-ethoxyethyl acetate	23.76
2-ethylhexyl acetate	18.03
1,2,4-trichlorobenzene	50.77
4-methylpyridine	75.58
dibutyl ether	2.48
2,6-dimethyl-4-heptanol	4.27
DEF	49.91
dimethyl isosorbide	59.18
tetrachloroethylene	59.65
eugenol	30.34
triacetin	21.65
span 80	21.75
1,4-butanediol	11.13
1,1-dichloroethane	44.65
2-methyl-1-pentanol	14.05
methyl formate	50.94
2-methyl-1-butanol	15.81
n-decane	0.19
butyronitrile	21.92
3,7-dimethyl-1-octanol	4.76
1-chlorooctane	1.85
1-chlorotetradecane	0.82
n-nonane	0.14
undecane	0.16
tert-butylcyclohexane	0.52
cyclooctane	0.24
cyclopentanol	45.86
tetrahydropyran	42.51
tert-amyl methyl ether	8.81
2,5,8-trioxanonane	31.2
1-hexene	2.05
2-isopropoxyethanol	17.56
2,2,2-trifluoroethanol	21.8
methyl butyrate	25.02

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