Molecular formula
C18H34O2

SMILES
CCCCCCCC(=O)OC1CC(CCC1C(C)C)C

Fragrance
Herbal	77.92%
Floral	68.25%
Mint	62.71%
Fruity	55.6%
Sweet	47.11%
Woody	38.94%
Fresh	36.92%
Balsamic	36.78%
Jasmin	35.32%
Oily	35.1%

 

Flavor
Oily	42.25%
Fruity	38.44%
Waxy	36.47%
Herbal	35.52%
Green	32.44%
Fatty	28.96%
Mild	27.88%
Tropical	25.26%
Floral	24.73%
Fresh	24.3%

 

Odor impact est.
Medium

XLogP3-AA
6.6

pKa est.
7.32 (neutral)

Molecular weight
282.5 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
322°C

Flash point

• 135.98 ˚C est.

• SCHEMBL2029553
• DTXSID40869153
• 5-Methyl-2-(propan-2-yl)cyclohexyl octanoate

5-Methyl-2-(propan-2-yl)cyclohexyl octanoate is an ester primarily used as a fragrance ingredient in perfumery and cosmetics. In fine fragrances and personal care formulations, it contributes aroma notes and can function as a fixative to help extend scent longevity. It is also used in household products such as cleaners and air fresheners to impart a pleasant fragrance. Additionally, as a fragrance ingredient, it may be considered for synthetic fragrance formulations in cosmetics and personal care, and may appear in industrial fragrance systems depending on formulation constraints and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	7451.2
methanol	4976.81
isopropanol	7214.6
water	0.27
ethyl acetate	9287.57
n-propanol	6481.05
acetone	10232.35
n-butanol	5953.96
acetonitrile	4992.79
DMF	4844.44
toluene	3843.15
isobutanol	5198.31
1,4-dioxane	8981.49
methyl acetate	4865.45
THF	13304.9
2-butanone	7489.35
n-pentanol	3220.21
sec-butanol	5843.64
n-hexane	1319.1
ethylene glycol	164.1
NMP	4793.08
cyclohexane	3589.45
DMSO	3910.73
n-butyl acetate	7678.91
n-octanol	1653.4
chloroform	12486.84
n-propyl acetate	5315.16
acetic acid	3250.9
dichloromethane	12230.68
cyclohexanone	13068.63
propylene glycol	515.96
isopropyl acetate	6896.97
DMAc	3708.64
2-ethoxyethanol	2582.4
isopentanol	5263.13
n-heptane	677.84
ethyl formate	3413.43
1,2-dichloroethane	8681.64
n-hexanol	3704.19
2-methoxyethanol	4080.79
isobutyl acetate	3336.67
tetrachloromethane	2235.79
n-pentyl acetate	4746.78
transcutol	9692.15
n-heptanol	1673.96
ethylbenzene	1776.78
MIBK	4612.93
2-propoxyethanol	3971.64
tert-butanol	6602.58
MTBE	8780.65
2-butoxyethanol	2573.35
propionic acid	2880.05
o-xylene	1969.58
formic acid	426.01
diethyl ether	9781.74
m-xylene	2118.9
p-xylene	2566.03
chlorobenzene	4950.48
dimethyl carbonate	960.85
n-octane	268.7
formamide	827.54
cyclopentanone	9062.21
2-pentanone	7882.08
anisole	2618.17
cyclopentyl methyl ether	7120.42
gamma-butyrolactone	7835.34
1-methoxy-2-propanol	3794.82
pyridine	8255.7
3-pentanone	4414.2
furfural	4574.09
n-dodecane	153.72
diethylene glycol	1324.01
diisopropyl ether	3026.36
tert-amyl alcohol	5161.58
acetylacetone	6157.31
n-hexadecane	191.01
acetophenone	2292.59
methyl propionate	4148.44
isopentyl acetate	6907.03
trichloroethylene	12330.2
n-nonanol	1408.5
cyclohexanol	6527.58
benzyl alcohol	1805.62
2-ethylhexanol	2554.68
isooctanol	1481.15
dipropyl ether	3874.43
1,2-dichlorobenzene	3639.41
ethyl lactate	1080.16
propylene carbonate	4840.58
n-methylformamide	2366.09
2-pentanol	4764.71
n-pentane	1137.18
1-propoxy-2-propanol	3850.52
1-methoxy-2-propyl acetate	4170.64
2-(2-methoxypropoxy) propanol	1649.76
mesitylene	1410.27
ε-caprolactone	9539.24
p-cymene	1110.73
epichlorohydrin	8989.5
1,1,1-trichloroethane	8618.32
2-aminoethanol	830.78
morpholine-4-carbaldehyde	4605.02
sulfolane	5853.05
2,2,4-trimethylpentane	484.78
2-methyltetrahydrofuran	12222.86
n-hexyl acetate	5314.42
isooctane	397.14
2-(2-butoxyethoxy)ethanol	2690.77
sec-butyl acetate	4064.75
tert-butyl acetate	5450.46
decalin	823.84
glycerin	502.05
diglyme	5164.09
acrylic acid	1504.75
isopropyl myristate	1486.18
n-butyric acid	7538.78
acetyl acetate	3974.55
di(2-ethylhexyl) phthalate	991.53
ethyl propionate	3953.01
nitromethane	5106.87
1,2-diethoxyethane	5805.35
benzonitrile	3485.66
trioctyl phosphate	774.45
1-bromopropane	7096.87
gamma-valerolactone	10431.6
n-decanol	897.89
triethyl phosphate	1019.73
4-methyl-2-pentanol	2315.78
propionitrile	4208.32
vinylene carbonate	3387.46
1,1,2-trichlorotrifluoroethane	3425.92
DMS	2257.55
cumene	1121.17
2-octanol	1466.7
2-hexanone	4873.55
octyl acetate	1882.71
limonene	2141.52
1,2-dimethoxyethane	5778.69
ethyl orthosilicate	1117.53
tributyl phosphate	1054.86
diacetone alcohol	3577.37
N,N-dimethylaniline	1464.12
acrylonitrile	3279.43
aniline	3346.73
1,3-propanediol	2181.86
bromobenzene	5613.59
dibromomethane	8921.26
1,1,2,2-tetrachloroethane	9742.22
2-methyl-cyclohexyl acetate	2369.31
tetrabutyl urea	1319.28
diisobutyl methanol	1472.35
2-phenylethanol	2023.16
styrene	2309.07
dioctyl adipate	1769.1
dimethyl sulfate	1147.2
ethyl butyrate	4560.22
methyl lactate	1058.22
butyl lactate	2244.13
diethyl carbonate	1974.41
propanediol butyl ether	1790.84
triethyl orthoformate	2317.88
p-tert-butyltoluene	983.85
methyl 4-tert-butylbenzoate	1925.0
morpholine	11675.01
tert-butylamine	4716.13
n-dodecanol	643.11
dimethoxymethane	3685.63
ethylene carbonate	4000.59
cyrene	1176.94
2-ethoxyethyl acetate	4632.34
2-ethylhexyl acetate	4936.88
1,2,4-trichlorobenzene	3956.38
4-methylpyridine	8571.62
dibutyl ether	3885.13
2,6-dimethyl-4-heptanol	1472.35
DEF	6158.74
dimethyl isosorbide	2727.43
tetrachloroethylene	6188.87
eugenol	1554.73
triacetin	2726.91
span 80	1813.79
1,4-butanediol	645.69
1,1-dichloroethane	10285.64
2-methyl-1-pentanol	2902.37
methyl formate	1511.49
2-methyl-1-butanol	4609.73
n-decane	344.69
butyronitrile	6400.71
3,7-dimethyl-1-octanol	1824.44
1-chlorooctane	1648.99
1-chlorotetradecane	491.12
n-nonane	358.85
undecane	213.65
tert-butylcyclohexane	635.78
cyclooctane	770.75
cyclopentanol	5275.37
tetrahydropyran	16616.54
tert-amyl methyl ether	4541.35
2,5,8-trioxanonane	2614.73
1-hexene	3948.71
2-isopropoxyethanol	2212.5
2,2,2-trifluoroethanol	720.53
methyl butyrate	5851.04

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