Molecular formula
C14H22O3

SMILES
CC1CCC(C(C1)OC(=O)CC(=O)C)C(=C)C

Fragrance
Fruity	79.09%
Floral	57.8%
Mint	53.3%
Sweet	52.79%
Woody	46.74%
Green	43.59%
Herbal	42.68%
Rose	38.19%
Fresh	37.44%
Berry	34.81%

 

Flavor
Fruity	53.25%
Sweet	43.83%
Floral	41.29%
Woody	39.23%
Tropical	37.35%
Minty	33.6%
Berry	31.5%
Mint	28.87%
Fresh	25.51%
Herbal	24.24%

 

Odor impact est.
Medium

XLogP3-AA
3.4

pKa est.
8.18 (weak base)

Molecular weight
238.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
295°C

Flash point

• 125.76 ˚C est.

• SCHEMBL14742510

Applications for the compound (5-Methyl-2-prop-1-en-2-ylcyclohexyl) 3-oxobutanoate (CAS number: ) primarily center on its role as an intermediate in organic synthesis and as a building block for more complex esters bearing a cyclohexyl moiety; in fragrance and cosmetics development it may be evaluated as a precursor for aroma-related compounds; it may serve as a building block in polymer or coating formulations; it could be used as a specialty additive for adhesive or formulation chemistry, subject to regulatory constraints. CAS number:

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1813.45
methanol	2363.33
isopropanol	1958.57
water	3.0
ethyl acetate	732.17
n-propanol	1224.18
acetone	1442.74
n-butanol	1193.35
acetonitrile	719.59
DMF	1697.23
toluene	276.44
isobutanol	984.29
1,4-dioxane	2004.84
methyl acetate	576.47
THF	2985.65
2-butanone	699.66
n-pentanol	626.4
sec-butanol	995.68
n-hexane	24.84
ethylene glycol	363.46
NMP	1184.62
cyclohexane	64.25
DMSO	1532.21
n-butyl acetate	459.22
n-octanol	240.98
chloroform	2109.88
n-propyl acetate	362.97
acetic acid	1389.63
dichloromethane	1379.8
cyclohexanone	1287.01
propylene glycol	922.21
isopropyl acetate	535.41
DMAc	1029.33
2-ethoxyethanol	721.39
isopentanol	1010.98
n-heptane	12.69
ethyl formate	557.5
1,2-dichloroethane	829.65
n-hexanol	713.0
2-methoxyethanol	1803.27
isobutyl acetate	278.33
tetrachloromethane	153.81
n-pentyl acetate	256.78
transcutol	3153.27
n-heptanol	213.3
ethylbenzene	138.61
MIBK	496.92
2-propoxyethanol	1091.71
tert-butanol	1947.51
MTBE	644.41
2-butoxyethanol	458.33
propionic acid	786.91
o-xylene	168.09
formic acid	554.4
diethyl ether	475.87
m-xylene	238.34
p-xylene	189.8
chlorobenzene	461.94
dimethyl carbonate	247.7
n-octane	6.19
formamide	597.37
cyclopentanone	1425.87
2-pentanone	673.35
anisole	377.43
cyclopentyl methyl ether	882.68
gamma-butyrolactone	1499.96
1-methoxy-2-propanol	1627.73
pyridine	816.96
3-pentanone	318.85
furfural	1193.35
n-dodecane	7.24
diethylene glycol	963.14
diisopropyl ether	139.59
tert-amyl alcohol	989.6
acetylacetone	881.24
n-hexadecane	8.6
acetophenone	333.78
methyl propionate	483.31
isopentyl acetate	452.37
trichloroethylene	1687.12
n-nonanol	202.7
cyclohexanol	1141.31
benzyl alcohol	478.72
2-ethylhexanol	265.29
isooctanol	173.85
dipropyl ether	185.06
1,2-dichlorobenzene	377.49
ethyl lactate	238.7
propylene carbonate	874.98
n-methylformamide	830.59
2-pentanol	674.38
n-pentane	24.02
1-propoxy-2-propanol	727.79
1-methoxy-2-propyl acetate	603.54
2-(2-methoxypropoxy) propanol	538.34
mesitylene	142.69
ε-caprolactone	1019.96
p-cymene	86.88
epichlorohydrin	1762.77
1,1,1-trichloroethane	791.03
2-aminoethanol	825.84
morpholine-4-carbaldehyde	1438.24
sulfolane	1356.44
2,2,4-trimethylpentane	19.69
2-methyltetrahydrofuran	1625.48
n-hexyl acetate	448.91
isooctane	19.92
2-(2-butoxyethoxy)ethanol	845.1
sec-butyl acetate	263.01
tert-butyl acetate	572.12
decalin	30.58
glycerin	902.27
diglyme	1263.26
acrylic acid	578.46
isopropyl myristate	156.28
n-butyric acid	1242.22
acetyl acetate	517.82
di(2-ethylhexyl) phthalate	201.02
ethyl propionate	292.22
nitromethane	1525.36
1,2-diethoxyethane	544.5
benzonitrile	501.47
trioctyl phosphate	135.64
1-bromopropane	391.06
gamma-valerolactone	1874.95
n-decanol	144.45
triethyl phosphate	134.43
4-methyl-2-pentanol	391.81
propionitrile	507.35
vinylene carbonate	727.33
1,1,2-trichlorotrifluoroethane	1120.3
DMS	345.71
cumene	103.43
2-octanol	147.39
2-hexanone	409.53
octyl acetate	213.61
limonene	135.75
1,2-dimethoxyethane	1083.7
ethyl orthosilicate	134.94
tributyl phosphate	179.07
diacetone alcohol	914.24
N,N-dimethylaniline	239.6
acrylonitrile	562.64
aniline	608.64
1,3-propanediol	1217.61
bromobenzene	409.78
dibromomethane	845.08
1,1,2,2-tetrachloroethane	1561.3
2-methyl-cyclohexyl acetate	262.08
tetrabutyl urea	217.99
diisobutyl methanol	146.43
2-phenylethanol	492.73
styrene	165.51
dioctyl adipate	257.71
dimethyl sulfate	363.11
ethyl butyrate	253.13
methyl lactate	432.41
butyl lactate	307.92
diethyl carbonate	181.46
propanediol butyl ether	713.34
triethyl orthoformate	195.37
p-tert-butyltoluene	89.47
methyl 4-tert-butylbenzoate	342.11
morpholine	2588.29
tert-butylamine	799.35
n-dodecanol	104.93
dimethoxymethane	987.24
ethylene carbonate	647.61
cyrene	456.39
2-ethoxyethyl acetate	421.31
2-ethylhexyl acetate	306.39
1,2,4-trichlorobenzene	490.22
4-methylpyridine	953.26
dibutyl ether	212.52
2,6-dimethyl-4-heptanol	146.43
DEF	603.44
dimethyl isosorbide	813.76
tetrachloroethylene	781.16
eugenol	363.64
triacetin	434.77
span 80	507.73
1,4-butanediol	420.36
1,1-dichloroethane	990.29
2-methyl-1-pentanol	556.6
methyl formate	672.75
2-methyl-1-butanol	783.05
n-decane	11.7
butyronitrile	712.74
3,7-dimethyl-1-octanol	275.91
1-chlorooctane	90.73
1-chlorotetradecane	35.18
n-nonane	10.57
undecane	8.92
tert-butylcyclohexane	30.96
cyclooctane	15.17
cyclopentanol	1198.23
tetrahydropyran	1612.94
tert-amyl methyl ether	372.42
2,5,8-trioxanonane	854.71
1-hexene	132.22
2-isopropoxyethanol	512.32
2,2,2-trifluoroethanol	403.45
methyl butyrate	423.97

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