Molecular formula
C13H24O2

SMILES
CC(C)CC(=O)OCCC1CCCCC1

Fragrance
Fruity	88.78%
Sweet	60.02%
Apple	56.62%
Pineapple	49.56%
Green	35.88%
Apricot	35.03%
Peach	33.68%
Waxy	32.58%
Pear	32.55%
Floral	32.12%

 

Flavor
Fruity	69.5%
Green	51.48%
Tropical	43.62%
Pineapple	40.7%
Fruit	39.86%
Rose	36.43%
Sweet	35.83%
Waxy	35.55%
Apple	35.05%
Herbal	29.56%

 

Odor impact est.
Medium

XLogP3-AA
4.5

pKa est.
7.49 (neutral)

Molecular weight
212.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
272°C

Flash point

• 112.99 ˚C est.

2-Cyclohexylethyl 3-methylbutanoate is used mainly as a fragrance ingredient and odorant with a warm, creamy note in perfumery. It can function as a fixative to extend scent lifetimes in cosmetics and personal care products such as lotions and sprays. It is also employed as a fragrance additive in household products like air fresheners and cleaners. In polymers and coatings, it may act as a fragrance-containing plasticizer or processing aid. It can serve as an intermediate in the synthesis of specialty aroma chemicals within industrial manufacturing, and may be evaluated for flavor applications where the aroma profile is compatible, though such use is not common.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3141.41
methanol	2647.46
isopropanol	3151.4
water	0.17
ethyl acetate	3215.07
n-propanol	2467.99
acetone	5262.19
n-butanol	2455.14
acetonitrile	2720.61
DMF	2628.9
toluene	1139.16
isobutanol	2062.56
1,4-dioxane	3695.71
methyl acetate	2094.78
THF	5779.58
2-butanone	3173.54
n-pentanol	1380.67
sec-butanol	2354.63
n-hexane	566.73
ethylene glycol	193.73
NMP	2173.66
cyclohexane	1068.7
DMSO	3184.76
n-butyl acetate	2471.69
n-octanol	653.62
chloroform	7808.85
n-propyl acetate	1770.85
acetic acid	2369.17
dichloromethane	6402.5
cyclohexanone	5282.85
propylene glycol	534.57
isopropyl acetate	2053.42
DMAc	1536.38
2-ethoxyethanol	1222.67
isopentanol	2179.93
n-heptane	216.59
ethyl formate	1514.22
1,2-dichloroethane	4392.13
n-hexanol	1606.72
2-methoxyethanol	2327.43
isobutyl acetate	1053.92
tetrachloromethane	919.03
n-pentyl acetate	1234.68
transcutol	5490.04
n-heptanol	598.18
ethylbenzene	598.85
MIBK	1638.58
2-propoxyethanol	1889.39
tert-butanol	3099.15
MTBE	2863.86
2-butoxyethanol	1007.47
propionic acid	1737.98
o-xylene	660.38
formic acid	397.95
diethyl ether	3098.5
m-xylene	786.19
p-xylene	840.86
chlorobenzene	2124.13
dimethyl carbonate	491.64
n-octane	90.24
formamide	640.56
cyclopentanone	4340.36
2-pentanone	2965.11
anisole	1070.96
cyclopentyl methyl ether	2641.63
gamma-butyrolactone	4139.7
1-methoxy-2-propanol	2115.45
pyridine	3120.4
3-pentanone	1746.49
furfural	2691.34
n-dodecane	59.57
diethylene glycol	971.54
diisopropyl ether	925.27
tert-amyl alcohol	2239.6
acetylacetone	2522.01
n-hexadecane	73.62
acetophenone	962.11
methyl propionate	1692.9
isopentyl acetate	2014.55
trichloroethylene	7208.75
n-nonanol	543.58
cyclohexanol	2711.86
benzyl alcohol	825.97
2-ethylhexanol	919.42
isooctanol	525.18
dipropyl ether	1294.23
1,2-dichlorobenzene	1777.3
ethyl lactate	538.33
propylene carbonate	2209.73
n-methylformamide	1310.3
2-pentanol	1902.47
n-pentane	390.06
1-propoxy-2-propanol	1637.06
1-methoxy-2-propyl acetate	1773.91
2-(2-methoxypropoxy) propanol	968.42
mesitylene	540.95
ε-caprolactone	3448.12
p-cymene	374.68
epichlorohydrin	4573.77
1,1,1-trichloroethane	4374.83
2-aminoethanol	662.12
morpholine-4-carbaldehyde	2118.93
sulfolane	3878.83
2,2,4-trimethylpentane	166.01
2-methyltetrahydrofuran	4409.87
n-hexyl acetate	1705.18
isooctane	148.83
2-(2-butoxyethoxy)ethanol	1487.12
sec-butyl acetate	1216.86
tert-butyl acetate	1997.43
decalin	304.89
glycerin	558.95
diglyme	2561.49
acrylic acid	1130.2
isopropyl myristate	564.04
n-butyric acid	3452.12
acetyl acetate	1661.1
di(2-ethylhexyl) phthalate	449.7
ethyl propionate	1376.57
nitromethane	3324.96
1,2-diethoxyethane	2092.08
benzonitrile	1514.06
trioctyl phosphate	334.45
1-bromopropane	2887.53
gamma-valerolactone	4523.51
n-decanol	376.57
triethyl phosphate	438.63
4-methyl-2-pentanol	913.81
propionitrile	2077.52
vinylene carbonate	1751.1
1,1,2-trichlorotrifluoroethane	2348.77
DMS	968.78
cumene	414.17
2-octanol	477.43
2-hexanone	1833.33
octyl acetate	697.03
limonene	692.71
1,2-dimethoxyethane	2499.01
ethyl orthosilicate	441.34
tributyl phosphate	474.29
diacetone alcohol	1707.64
N,N-dimethylaniline	626.35
acrylonitrile	1876.97
aniline	1409.22
1,3-propanediol	1354.65
bromobenzene	2359.38
dibromomethane	4568.68
1,1,2,2-tetrachloroethane	6190.79
2-methyl-cyclohexyl acetate	941.63
tetrabutyl urea	545.89
diisobutyl methanol	553.42
2-phenylethanol	903.64
styrene	785.76
dioctyl adipate	756.85
dimethyl sulfate	697.8
ethyl butyrate	1385.65
methyl lactate	680.25
butyl lactate	865.71
diethyl carbonate	789.12
propanediol butyl ether	988.51
triethyl orthoformate	818.32
p-tert-butyltoluene	367.03
methyl 4-tert-butylbenzoate	823.58
morpholine	4541.55
tert-butylamine	2044.02
n-dodecanol	284.68
dimethoxymethane	1583.81
ethylene carbonate	1732.65
cyrene	677.39
2-ethoxyethyl acetate	1423.44
2-ethylhexyl acetate	1428.24
1,2,4-trichlorobenzene	1964.62
4-methylpyridine	2792.88
dibutyl ether	1311.67
2,6-dimethyl-4-heptanol	553.42
DEF	2202.94
dimethyl isosorbide	1507.32
tetrachloroethylene	3432.83
eugenol	745.49
triacetin	1160.44
span 80	997.25
1,4-butanediol	430.19
1,1-dichloroethane	5378.53
2-methyl-1-pentanol	1183.49
methyl formate	910.87
2-methyl-1-butanol	1808.37
n-decane	121.12
butyronitrile	2785.0
3,7-dimethyl-1-octanol	756.76
1-chlorooctane	589.77
1-chlorotetradecane	206.35
n-nonane	126.2
undecane	80.67
tert-butylcyclohexane	241.49
cyclooctane	245.23
cyclopentanol	2434.95
tetrahydropyran	5365.77
tert-amyl methyl ether	1537.9
2,5,8-trioxanonane	1493.0
1-hexene	1587.18
2-isopropoxyethanol	993.66
2,2,2-trifluoroethanol	571.98
methyl butyrate	2038.96

Scent© AI