Molecular formula
C14H28O2

SMILES
CCCCCC1CCCCC1.CCC(=O)O

Fragrance
Sweet	43.23%
Waxy	38.38%
Gassy	33.98%
Citrus	28.11%
Dry	20.7%
Fatty	19.85%
Clean	18.68%
Oily	18.65%
Fresh	18.14%
Amber	18.05%

 

Flavor
Alkane	45.58%
Waxy	32.06%
Slightly waxy	20.46%
Diterpene	20.44%
Alkaline	20.38%
Incense	20.23%
Grapefruit peel	20.13%
Old paper	20.09%
Citrus peel	20.08%
Low	19.91%

 

Odor impact est.
Medium

pKa est.
9.14 (weak base)

Molecular weight
228.37 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
206°C

Flash point

• 70.65 ˚C est.

• SCHEMBL3879824

Pentylcyclohexane;propanoic acid is used in industry with distinct roles. Pentylcyclohexane is mainly used as a nonpolar solvent and diluent in coatings, inks, and cleaning formulations; as a fragrance solvent and potential fixative in perfumery formulations; as an intermediate in organic synthesis; and as a component in hydrocarbon solvent systems for formulation work. Propanoic acid is a building block for propionate esters and other chemical intermediates; as a food preservative precursor (e.g., calcium propionate in baked goods) where permitted by regulation; as a reactive intermediate in polymer and plasticizer production; and as a processing solvent in certain formulations. Both compounds are typically evaluated under local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2149.09
methanol	712.44
isopropanol	3066.53
water	0.01
ethyl acetate	8465.3
n-propanol	2881.54
acetone	6466.62
n-butanol	4092.85
acetonitrile	2692.59
DMF	2249.32
toluene	6346.02
isobutanol	2645.36
1,4-dioxane	10570.25
methyl acetate	4097.19
THF	19212.8
2-butanone	6780.16
n-pentanol	2460.15
sec-butanol	3554.88
n-hexane	9437.59
ethylene glycol	68.84
NMP	2257.62
cyclohexane	14423.25
DMSO	3059.52
n-butyl acetate	19882.77
n-octanol	1944.93
chloroform	10967.29
n-propyl acetate	6169.63
acetic acid	871.73
dichloromethane	10947.86
cyclohexanone	10368.81
propylene glycol	233.47
isopropyl acetate	6968.13
DMAc	1811.79
2-ethoxyethanol	1668.27
isopentanol	4377.56
n-heptane	13842.13
ethyl formate	2270.37
1,2-dichloroethane	9546.3
n-hexanol	7476.03
2-methoxyethanol	2250.19
isobutyl acetate	3976.74
tetrachloromethane	3156.87
n-pentyl acetate	4888.16
transcutol	8850.55
n-heptanol	2312.27
ethylbenzene	2974.53
MIBK	5732.14
2-propoxyethanol	5184.12
tert-butanol	5691.05
MTBE	12764.1
2-butoxyethanol	2377.76
propionic acid	1344.78
o-xylene	2691.83
formic acid	47.08
diethyl ether	16733.26
m-xylene	3319.46
p-xylene	3095.2
chlorobenzene	4565.31
dimethyl carbonate	742.56
n-octane	2588.35
formamide	117.79
cyclopentanone	8543.79
2-pentanone	8283.8
anisole	3341.53
cyclopentyl methyl ether	11805.16
gamma-butyrolactone	5671.13
1-methoxy-2-propanol	2599.62
pyridine	8338.16
3-pentanone	5692.22
furfural	2886.56
n-dodecane	979.91
diethylene glycol	1027.75
diisopropyl ether	7088.5
tert-amyl alcohol	4669.44
acetylacetone	5163.39
n-hexadecane	1226.53
acetophenone	2006.1
methyl propionate	3664.16
isopentyl acetate	14357.39
trichloroethylene	9822.91
n-nonanol	1943.41
cyclohexanol	5085.9
benzyl alcohol	1243.44
2-ethylhexanol	8554.92
isooctanol	2227.58
dipropyl ether	27174.27
1,2-dichlorobenzene	3310.5
ethyl lactate	785.22
propylene carbonate	3587.34
n-methylformamide	701.15
2-pentanol	4158.08
n-pentane	6417.37
1-propoxy-2-propanol	7465.69
1-methoxy-2-propyl acetate	7201.53
2-(2-methoxypropoxy) propanol	1604.98
mesitylene	2435.02
ε-caprolactone	6895.79
p-cymene	3445.79
epichlorohydrin	7799.29
1,1,1-trichloroethane	10582.46
2-aminoethanol	296.3
morpholine-4-carbaldehyde	2828.87
sulfolane	4626.78
2,2,4-trimethylpentane	1727.38
2-methyltetrahydrofuran	16870.93
n-hexyl acetate	5132.18
isooctane	1875.3
2-(2-butoxyethoxy)ethanol	2743.03
sec-butyl acetate	4563.41
tert-butyl acetate	7783.24
decalin	3023.97
glycerin	237.65
diglyme	6370.67
acrylic acid	622.05
isopropyl myristate	2544.16
n-butyric acid	4161.12
acetyl acetate	3281.43
di(2-ethylhexyl) phthalate	900.05
ethyl propionate	5057.46
nitromethane	1607.49
1,2-diethoxyethane	13649.93
benzonitrile	2716.03
trioctyl phosphate	920.43
1-bromopropane	13386.97
gamma-valerolactone	6375.21
n-decanol	1455.99
triethyl phosphate	2181.73
4-methyl-2-pentanol	2736.32
propionitrile	4205.32
vinylene carbonate	2206.29
1,1,2-trichlorotrifluoroethane	2172.75
DMS	1647.64
cumene	1680.38
2-octanol	1793.04
2-hexanone	6583.08
octyl acetate	2360.31
limonene	7671.93
1,2-dimethoxyethane	7442.62
ethyl orthosilicate	2714.06
tributyl phosphate	1386.89
diacetone alcohol	3531.26
N,N-dimethylaniline	1862.72
acrylonitrile	2824.86
aniline	3215.55
1,3-propanediol	879.96
bromobenzene	5909.99
dibromomethane	10431.13
1,1,2,2-tetrachloroethane	8833.89
2-methyl-cyclohexyl acetate	4366.13
tetrabutyl urea	1694.3
diisobutyl methanol	5291.68
2-phenylethanol	2529.93
styrene	3658.65
dioctyl adipate	2216.05
dimethyl sulfate	814.8
ethyl butyrate	13138.29
methyl lactate	603.92
butyl lactate	1782.35
diethyl carbonate	5060.01
propanediol butyl ether	1004.03
triethyl orthoformate	7440.67
p-tert-butyltoluene	3391.78
methyl 4-tert-butylbenzoate	1590.05
morpholine	10555.31
tert-butylamine	6493.58
n-dodecanol	1238.88
dimethoxymethane	3633.25
ethylene carbonate	2809.25
cyrene	806.63
2-ethoxyethyl acetate	3889.55
2-ethylhexyl acetate	12342.01
1,2,4-trichlorobenzene	3139.06
4-methylpyridine	7629.28
dibutyl ether	12806.47
2,6-dimethyl-4-heptanol	5291.68
DEF	5583.33
dimethyl isosorbide	3143.06
tetrachloroethylene	5213.7
eugenol	1039.55
triacetin	1988.1
span 80	1799.11
1,4-butanediol	252.49
1,1-dichloroethane	10061.06
2-methyl-1-pentanol	2651.18
methyl formate	550.92
2-methyl-1-butanol	3437.87
n-decane	2120.17
butyronitrile	6803.77
3,7-dimethyl-1-octanol	3340.06
1-chlorooctane	4177.37
1-chlorotetradecane	1475.35
n-nonane	2591.44
undecane	1346.2
tert-butylcyclohexane	2507.78
cyclooctane	5039.29
cyclopentanol	3793.01
tetrahydropyran	22534.99
tert-amyl methyl ether	7948.48
2,5,8-trioxanonane	2973.9
1-hexene	14086.81
2-isopropoxyethanol	1683.19
2,2,2-trifluoroethanol	162.26
methyl butyrate	6402.95

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