Molecular formula
C22H44O2

SMILES
CC(C)CC1CCCC(C1)(C)O.CC(C)CC1CCCC(C1)(C)O

Fragrance
Floral	78.07%
Lily	46.32%
Muguet	46.1%
Citrus	46.1%
Herbal	45.18%
Fresh	44.52%
Woody	42.88%
Rose	42.19%
Mint	40.18%
Clean	39.13%

 

Flavor
Woody	46.93%
Minty	36.6%
Green	34.81%
Earthy	33.73%
Musty	30.97%
Spice	28.4%
Herbal	28.06%
Herb	27.97%
Sweet	27.74%
Mild	27.42%

 

Odor impact est.
Medium

pKa est.
9.79 (weak base)

Molecular weight
340.6 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
225°C

Flash point

• 96.9 ˚C est.

1-methyl-3-(2-methylpropyl)cyclohexan-1-ol is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, where its cyclohexanol framework contributes to woody-amber style notes and it can serve as a fixing or profile-building component in formulations. It also functions as an intermediate in organic synthesis for fragrance compounds and other specialty chemicals, enabling derivatization to access functionalized cyclohexyl motifs. In addition, it may find use in household products such as air fresheners and cleaners as a fragrance additive, and in coatings, inks, and polymers as a precursor for more complex functional materials. Depending on regulatory status, it may be evaluated as a chiral building block for pharmaceutical or agrochemical syntheses, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2317.73
methanol	2014.85
isopropanol	2290.61
water	0.62
ethyl acetate	1190.42
n-propanol	1815.26
acetone	1518.32
n-butanol	1945.66
acetonitrile	1100.25
DMF	904.84
toluene	497.7
isobutanol	1430.78
1,4-dioxane	2410.21
methyl acetate	887.93
THF	4338.63
2-butanone	1125.48
n-pentanol	991.55
sec-butanol	1390.25
n-hexane	593.93
ethylene glycol	173.33
NMP	621.89
cyclohexane	758.81
DMSO	867.13
n-butyl acetate	1706.69
n-octanol	795.23
chloroform	1844.35
n-propyl acetate	704.54
acetic acid	736.47
dichloromethane	1274.9
cyclohexanone	1530.76
propylene glycol	458.26
isopropyl acetate	857.59
DMAc	519.0
2-ethoxyethanol	727.61
isopentanol	1606.43
n-heptane	747.89
ethyl formate	715.18
1,2-dichloroethane	762.45
n-hexanol	2570.64
2-methoxyethanol	1493.87
isobutyl acetate	535.61
tetrachloromethane	358.2
n-pentyl acetate	643.07
transcutol	2284.17
n-heptanol	849.54
ethylbenzene	271.46
MIBK	761.92
2-propoxyethanol	2085.77
tert-butanol	2437.34
MTBE	1996.09
2-butoxyethanol	937.75
propionic acid	717.08
o-xylene	296.7
formic acid	158.95
diethyl ether	1788.09
m-xylene	389.94
p-xylene	349.69
chlorobenzene	484.37
dimethyl carbonate	180.34
n-octane	183.61
formamide	180.6
cyclopentanone	1530.58
2-pentanone	1160.7
anisole	447.62
cyclopentyl methyl ether	1341.96
gamma-butyrolactone	1338.33
1-methoxy-2-propanol	1393.37
pyridine	971.85
3-pentanone	659.0
furfural	813.24
n-dodecane	121.97
diethylene glycol	784.37
diisopropyl ether	656.64
tert-amyl alcohol	1377.46
acetylacetone	784.09
n-hexadecane	136.57
acetophenone	318.29
methyl propionate	649.03
isopentyl acetate	1403.0
trichloroethylene	1086.16
n-nonanol	637.5
cyclohexanol	1341.97
benzyl alcohol	332.73
2-ethylhexanol	1391.72
isooctanol	612.7
dipropyl ether	1843.94
1,2-dichlorobenzene	357.76
ethyl lactate	249.75
propylene carbonate	763.71
n-methylformamide	539.34
2-pentanol	1247.68
n-pentane	532.72
1-propoxy-2-propanol	1774.15
1-methoxy-2-propyl acetate	1098.82
2-(2-methoxypropoxy) propanol	624.3
mesitylene	296.92
ε-caprolactone	1160.91
p-cymene	340.87
epichlorohydrin	1349.96
1,1,1-trichloroethane	836.67
2-aminoethanol	555.25
morpholine-4-carbaldehyde	957.82
sulfolane	958.94
2,2,4-trimethylpentane	195.56
2-methyltetrahydrofuran	2407.51
n-hexyl acetate	977.24
isooctane	213.29
2-(2-butoxyethoxy)ethanol	971.5
sec-butyl acetate	492.3
tert-butyl acetate	918.97
decalin	220.41
glycerin	405.13
diglyme	1400.11
acrylic acid	361.98
isopropyl myristate	399.05
n-butyric acid	1522.49
acetyl acetate	489.92
di(2-ethylhexyl) phthalate	296.62
ethyl propionate	547.55
nitromethane	790.74
1,2-diethoxyethane	1258.95
benzonitrile	531.23
trioctyl phosphate	276.9
1-bromopropane	985.82
gamma-valerolactone	1701.46
n-decanol	468.36
triethyl phosphate	258.39
4-methyl-2-pentanol	761.58
propionitrile	1149.11
vinylene carbonate	565.53
1,1,2-trichlorotrifluoroethane	663.63
DMS	357.57
cumene	212.69
2-octanol	536.13
2-hexanone	778.86
octyl acetate	489.29
limonene	683.32
1,2-dimethoxyethane	1489.78
ethyl orthosilicate	288.63
tributyl phosphate	313.55
diacetone alcohol	824.3
N,N-dimethylaniline	289.14
acrylonitrile	790.49
aniline	564.41
1,3-propanediol	941.17
bromobenzene	496.89
dibromomethane	1136.24
1,1,2,2-tetrachloroethane	934.68
2-methyl-cyclohexyl acetate	617.41
tetrabutyl urea	366.65
diisobutyl methanol	655.66
2-phenylethanol	642.77
styrene	298.7
dioctyl adipate	432.51
dimethyl sulfate	195.37
ethyl butyrate	904.34
methyl lactate	293.66
butyl lactate	478.47
diethyl carbonate	426.39
propanediol butyl ether	783.15
triethyl orthoformate	599.09
p-tert-butyltoluene	364.77
methyl 4-tert-butylbenzoate	418.41
morpholine	2525.83
tert-butylamine	1979.02
n-dodecanol	368.68
dimethoxymethane	999.86
ethylene carbonate	604.05
cyrene	361.51
2-ethoxyethyl acetate	653.77
2-ethylhexyl acetate	1082.4
1,2,4-trichlorobenzene	387.71
4-methylpyridine	962.12
dibutyl ether	1023.22
2,6-dimethyl-4-heptanol	655.66
DEF	780.97
dimethyl isosorbide	875.0
tetrachloroethylene	589.96
eugenol	362.81
triacetin	522.34
span 80	740.68
1,4-butanediol	275.66
1,1-dichloroethane	1099.67
2-methyl-1-pentanol	717.53
methyl formate	373.35
2-methyl-1-butanol	1174.01
n-decane	224.21
butyronitrile	1655.16
3,7-dimethyl-1-octanol	745.46
1-chlorooctane	493.48
1-chlorotetradecane	199.88
n-nonane	242.35
undecane	158.75
tert-butylcyclohexane	233.77
cyclooctane	267.98
cyclopentanol	1277.07
tetrahydropyran	3061.71
tert-amyl methyl ether	1064.87
2,5,8-trioxanonane	893.7
1-hexene	1077.02
2-isopropoxyethanol	562.3
2,2,2-trifluoroethanol	139.27
methyl butyrate	705.91

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