Molecular formula
C13H22O2

SMILES
CCCCC1(C(=CC(=O)CC1(C)C)C)O

Fragrance
Woody	71.68%
Fruity	69.29%
Herbal	65.65%
Sweet	64.71%
Green	59.13%
Earthy	53.29%
Mint	52.32%
Camphoreous	46.47%
Spicy	43.28%
Floral	42.43%

 

Flavor
Woody	60.44%
Sweet	46.49%
Fruity	45.08%
Herbal	43.24%
Spicy	39.56%
Tobacco	37.15%
Minty	36.24%
Musty	33.52%
Camphor	31.25%
Spice	28.69%

 

Odor impact est.
Medium

XLogP3-AA
2.1

pKa est.
9.21 (weak base)

Molecular weight
210.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
308°C

Flash point

• 129.26 ˚C est.

• SCHEMBL11430437
• UTYQVZJVRYRBQG-UHFFFAOYSA-N
• 4-BUTYL-4-HYDROXY-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE

4-Butyl-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one is commonly used as an aroma ingredient in perfumery, where it can function as an odorant and, in some formulations, as a fixative to extend the scent. In cosmetics and personal care, it may be used as a fragrance component to create or stabilize fragrance profiles. In household products, it may serve as a fragrance additive in cleaners, detergents, and air fresheners. In industrial manufacturing, it is often evaluated as an intermediate in the synthesis of aroma compounds. In coatings and inks, it can be incorporated to impart or preserve aroma in finished materials.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	426.75
methanol	628.79
isopropanol	420.03
water	1.2
ethyl acetate	247.15
n-propanol	373.55
acetone	324.26
n-butanol	337.23
acetonitrile	365.02
DMF	769.46
toluene	292.58
isobutanol	278.35
1,4-dioxane	741.61
methyl acetate	285.57
THF	1035.56
2-butanone	324.52
n-pentanol	219.69
sec-butanol	284.02
n-hexane	28.4
ethylene glycol	61.0
NMP	470.82
cyclohexane	56.8
DMSO	339.15
n-butyl acetate	267.71
n-octanol	169.48
chloroform	913.9
n-propyl acetate	182.72
acetic acid	215.32
dichloromethane	662.52
cyclohexanone	513.82
propylene glycol	94.64
isopropyl acetate	190.76
DMAc	412.09
2-ethoxyethanol	223.28
isopentanol	270.14
n-heptane	23.81
ethyl formate	216.99
1,2-dichloroethane	345.87
n-hexanol	335.37
2-methoxyethanol	410.71
isobutyl acetate	141.33
tetrachloromethane	166.6
n-pentyl acetate	190.66
transcutol	489.29
n-heptanol	170.86
ethylbenzene	156.52
MIBK	204.93
2-propoxyethanol	397.74
tert-butanol	449.22
MTBE	294.52
2-butoxyethanol	222.58
propionic acid	192.41
o-xylene	182.29
formic acid	93.79
diethyl ether	275.73
m-xylene	215.39
p-xylene	212.2
chlorobenzene	294.54
dimethyl carbonate	116.61
n-octane	13.84
formamide	145.17
cyclopentanone	601.61
2-pentanone	259.9
anisole	263.65
cyclopentyl methyl ether	322.24
gamma-butyrolactone	619.41
1-methoxy-2-propanol	330.08
pyridine	473.26
3-pentanone	201.21
furfural	472.8
n-dodecane	12.86
diethylene glycol	257.91
diisopropyl ether	97.75
tert-amyl alcohol	287.77
acetylacetone	279.81
n-hexadecane	15.05
acetophenone	224.79
methyl propionate	210.7
isopentyl acetate	250.25
trichloroethylene	669.95
n-nonanol	139.04
cyclohexanol	272.38
benzyl alcohol	208.31
2-ethylhexanol	163.9
isooctanol	134.01
dipropyl ether	150.74
1,2-dichlorobenzene	259.45
ethyl lactate	102.48
propylene carbonate	332.48
n-methylformamide	301.5
2-pentanol	213.91
n-pentane	28.54
1-propoxy-2-propanol	270.59
1-methoxy-2-propyl acetate	257.6
2-(2-methoxypropoxy) propanol	180.75
mesitylene	138.27
ε-caprolactone	408.15
p-cymene	106.38
epichlorohydrin	557.78
1,1,1-trichloroethane	403.19
2-aminoethanol	158.34
morpholine-4-carbaldehyde	511.07
sulfolane	522.37
2,2,4-trimethylpentane	22.24
2-methyltetrahydrofuran	522.13
n-hexyl acetate	267.04
isooctane	21.4
2-(2-butoxyethoxy)ethanol	237.85
sec-butyl acetate	141.21
tert-butyl acetate	226.24
decalin	37.06
glycerin	121.68
diglyme	407.54
acrylic acid	157.23
isopropyl myristate	99.75
n-butyric acid	277.13
acetyl acetate	172.44
di(2-ethylhexyl) phthalate	102.9
ethyl propionate	160.64
nitromethane	344.87
1,2-diethoxyethane	226.06
benzonitrile	306.67
trioctyl phosphate	82.24
1-bromopropane	264.76
gamma-valerolactone	639.56
n-decanol	97.1
triethyl phosphate	91.84
4-methyl-2-pentanol	135.29
propionitrile	344.39
vinylene carbonate	333.33
1,1,2-trichlorotrifluoroethane	320.15
DMS	186.27
cumene	119.02
2-octanol	128.81
2-hexanone	202.89
octyl acetate	124.11
limonene	132.04
1,2-dimethoxyethane	442.09
ethyl orthosilicate	92.22
tributyl phosphate	86.26
diacetone alcohol	235.44
N,N-dimethylaniline	196.77
acrylonitrile	345.9
aniline	264.32
1,3-propanediol	236.41
bromobenzene	314.38
dibromomethane	439.96
1,1,2,2-tetrachloroethane	540.12
2-methyl-cyclohexyl acetate	163.46
tetrabutyl urea	113.95
diisobutyl methanol	99.09
2-phenylethanol	251.18
styrene	177.46
dioctyl adipate	124.12
dimethyl sulfate	173.16
ethyl butyrate	177.28
methyl lactate	117.51
butyl lactate	145.5
diethyl carbonate	125.65
propanediol butyl ether	201.4
triethyl orthoformate	125.22
p-tert-butyltoluene	109.3
methyl 4-tert-butylbenzoate	213.99
morpholine	715.95
tert-butylamine	282.39
n-dodecanol	72.83
dimethoxymethane	415.79
ethylene carbonate	267.48
cyrene	192.76
2-ethoxyethyl acetate	218.09
2-ethylhexyl acetate	191.68
1,2,4-trichlorobenzene	298.58
4-methylpyridine	489.53
dibutyl ether	135.41
2,6-dimethyl-4-heptanol	99.09
DEF	261.07
dimethyl isosorbide	325.5
tetrachloroethylene	359.92
eugenol	198.77
triacetin	189.46
span 80	169.1
1,4-butanediol	96.18
1,1-dichloroethane	411.96
2-methyl-1-pentanol	183.54
methyl formate	246.0
2-methyl-1-butanol	236.06
n-decane	23.39
butyronitrile	372.46
3,7-dimethyl-1-octanol	136.78
1-chlorooctane	105.47
1-chlorotetradecane	39.97
n-nonane	21.21
undecane	16.8
tert-butylcyclohexane	35.83
cyclooctane	18.39
cyclopentanol	307.19
tetrahydropyran	614.74
tert-amyl methyl ether	194.62
2,5,8-trioxanonane	272.26
1-hexene	117.34
2-isopropoxyethanol	171.53
2,2,2-trifluoroethanol	86.78
methyl butyrate	213.7

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