Molecular formula
C11H18O

SMILES
CCCCCC1=CC(=O)CCC1

Fragrance
Floral	80.54%
Jasmin	70.45%
Coconut	51.26%
Lactonic	51.1%
Fruity	49.01%
Fresh	42.85%
Waxy	41.92%
Spicy	41.13%
Sweet	37.12%
Fatty	36.48%

 

Flavor
Herbal	56.01%
Fatty	47.56%
Fresh	44.79%
Fruity	34.04%
Woody	32.45%
Oily	32.12%
Jasmin	31.75%
Spicy	31.21%
Coconut	31.17%
Spice	30.52%

 

Odor impact est.
High

XLogP3-AA
2.9

pKa est.
8.7 (weak base)

Molecular weight
166.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
259°C

Flash point

• 96.77 ˚C est.

• 3-pentylcyclohex-2-en-1-one
• SCHEMBL3505646
• DTXSID20865219
• UNXYWNYOLBUJRO-UHFFFAOYSA-N
• AKOS014505478

3-Pentylcyclohex-2-en-1-one is primarily used as a fragrance ingredient in perfumery, contributing green and woody notes; it is also employed in cosmetics and personal care products to provide scent, and may be evaluated for use in household cleaning formulations as a fragrance additive; additionally, it serves as a synthetic precursor for other aroma compounds in industrial manufacturing, and may be considered for flavor applications in food contexts within regulatory frameworks.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	4407.51
methanol	3837.96
isopropanol	4360.53
water	0.08
ethyl acetate	4274.6
n-propanol	3680.92
acetone	6892.29
n-butanol	3463.67
acetonitrile	4652.51
DMF	3931.91
toluene	1869.37
isobutanol	2771.68
1,4-dioxane	4659.55
methyl acetate	2814.31
THF	5314.46
2-butanone	4092.45
n-pentanol	1979.36
sec-butanol	2964.27
n-hexane	963.85
ethylene glycol	290.23
NMP	1967.01
cyclohexane	1126.16
DMSO	3908.52
n-butyl acetate	3321.95
n-octanol	752.28
chloroform	6992.54
n-propyl acetate	2041.0
acetic acid	1835.81
dichloromethane	5912.97
cyclohexanone	4658.44
propylene glycol	606.91
isopropyl acetate	2420.44
DMAc	1653.67
2-ethoxyethanol	1464.35
isopentanol	2774.59
n-heptane	341.15
ethyl formate	1668.21
1,2-dichloroethane	4266.38
n-hexanol	2548.81
2-methoxyethanol	2836.58
isobutyl acetate	1148.53
tetrachloromethane	960.4
n-pentyl acetate	1312.14
transcutol	7749.38
n-heptanol	724.79
ethylbenzene	827.53
MIBK	1837.49
2-propoxyethanol	2560.91
tert-butanol	4048.45
MTBE	4066.08
2-butoxyethanol	1120.69
propionic acid	1831.49
o-xylene	763.8
formic acid	290.5
diethyl ether	5630.44
m-xylene	1039.46
p-xylene	854.23
chlorobenzene	2057.55
dimethyl carbonate	568.76
n-octane	116.83
formamide	546.71
cyclopentanone	3916.43
2-pentanone	4048.8
anisole	1292.67
cyclopentyl methyl ether	3072.19
gamma-butyrolactone	3417.09
1-methoxy-2-propanol	2519.25
pyridine	4123.41
3-pentanone	2201.44
furfural	2227.67
n-dodecane	71.03
diethylene glycol	1158.06
diisopropyl ether	1267.36
tert-amyl alcohol	2533.57
acetylacetone	2622.51
n-hexadecane	86.98
acetophenone	956.69
methyl propionate	2406.64
isopentyl acetate	2424.03
trichloroethylene	6460.06
n-nonanol	620.02
cyclohexanol	2767.24
benzyl alcohol	978.28
2-ethylhexanol	1276.49
isooctanol	590.97
dipropyl ether	1977.09
1,2-dichlorobenzene	1424.68
ethyl lactate	491.46
propylene carbonate	1693.52
n-methylformamide	1609.76
2-pentanol	2487.14
n-pentane	680.88
1-propoxy-2-propanol	2099.4
1-methoxy-2-propyl acetate	1962.29
2-(2-methoxypropoxy) propanol	1009.16
mesitylene	586.67
ε-caprolactone	3115.1
p-cymene	397.57
epichlorohydrin	4146.32
1,1,1-trichloroethane	3873.35
2-aminoethanol	909.92
morpholine-4-carbaldehyde	2235.31
sulfolane	2809.47
2,2,4-trimethylpentane	172.61
2-methyltetrahydrofuran	4672.43
n-hexyl acetate	1784.49
isooctane	188.18
2-(2-butoxyethoxy)ethanol	1622.89
sec-butyl acetate	1265.68
tert-butyl acetate	2013.14
decalin	321.56
glycerin	618.89
diglyme	2787.99
acrylic acid	1130.41
isopropyl myristate	563.4
n-butyric acid	3524.57
acetyl acetate	1488.77
di(2-ethylhexyl) phthalate	411.61
ethyl propionate	1594.39
nitromethane	2804.52
1,2-diethoxyethane	3261.55
benzonitrile	1750.95
trioctyl phosphate	307.07
1-bromopropane	3683.07
gamma-valerolactone	3888.87
n-decanol	442.89
triethyl phosphate	391.56
4-methyl-2-pentanol	1024.61
propionitrile	3402.07
vinylene carbonate	1471.47
1,1,2-trichlorotrifluoroethane	2031.88
DMS	1009.27
cumene	449.16
2-octanol	544.2
2-hexanone	2325.5
octyl acetate	668.8
limonene	746.1
1,2-dimethoxyethane	3070.51
ethyl orthosilicate	422.68
tributyl phosphate	439.67
diacetone alcohol	1651.81
N,N-dimethylaniline	677.13
acrylonitrile	2941.51
aniline	2067.79
1,3-propanediol	1479.69
bromobenzene	2252.87
dibromomethane	4593.38
1,1,2,2-tetrachloroethane	4902.2
2-methyl-cyclohexyl acetate	806.76
tetrabutyl urea	523.52
diisobutyl methanol	652.43
2-phenylethanol	1097.32
styrene	1249.31
dioctyl adipate	692.47
dimethyl sulfate	684.89
ethyl butyrate	1503.86
methyl lactate	652.45
butyl lactate	794.81
diethyl carbonate	784.95
propanediol butyl ether	1044.5
triethyl orthoformate	822.87
p-tert-butyltoluene	384.22
methyl 4-tert-butylbenzoate	707.15
morpholine	6001.35
tert-butylamine	2819.04
n-dodecanol	327.43
dimethoxymethane	2455.34
ethylene carbonate	1437.27
cyrene	567.03
2-ethoxyethyl acetate	1586.04
2-ethylhexyl acetate	1681.56
1,2,4-trichlorobenzene	1545.57
4-methylpyridine	4125.27
dibutyl ether	1753.43
2,6-dimethyl-4-heptanol	652.43
DEF	2949.49
dimethyl isosorbide	1352.3
tetrachloroethylene	3030.96
eugenol	709.67
triacetin	1061.39
span 80	931.75
1,4-butanediol	477.7
1,1-dichloroethane	5362.2
2-methyl-1-pentanol	1492.73
methyl formate	1041.53
2-methyl-1-butanol	2355.11
n-decane	146.07
butyronitrile	4033.03
3,7-dimethyl-1-octanol	843.74
1-chlorooctane	641.46
1-chlorotetradecane	209.35
n-nonane	159.79
undecane	97.16
tert-butylcyclohexane	288.82
cyclooctane	288.65
cyclopentanol	2282.71
tetrahydropyran	6838.5
tert-amyl methyl ether	2052.53
2,5,8-trioxanonane	1555.1
1-hexene	2888.82
2-isopropoxyethanol	1212.11
2,2,2-trifluoroethanol	339.61
methyl butyrate	2228.87

Scent© AI