Molecular formula
C13H24O2

SMILES
CCCC(=O)O.C=CCC1CCCCC1

Fragrance
Fruity	86.22%
Cheesy	82.78%
Sour	72.08%
Dairy	53.93%
Sharp	52.93%
Sweaty	52.88%
Pungent	50.94%
Buttery	49.48%
Milky	39.93%
Caramellic	39.54%

 

Flavor
Rancid	62.03%
Cheese	61.84%
Sweat	59.99%
Sour	57.71%
Acidic	54.11%
Pungent	48.98%
Sharp	43.02%
Butter	39.15%
Cheesy	36.59%
Vinegar	35.59%

 

Odor impact est.
High

pKa est.
8.12 (weak base)

Molecular weight
212.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
165°C

Flash point

• 68.39 ˚C est.

• SCHEMBL4955048

For Butanoic acid;prop-2-enylcyclohexane, typical applications include perfumery/fragrance and cosmetics/personal care as a fragrance ingredient or fixative; household products as a scent component; coatings/inks as a solvent or formulation aid; polymers/plastics as a processing aid or plasticizer; and industrial manufacturing as an intermediate in organic synthesis to access downstream derivatives.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	843.01
methanol	1356.76
isopropanol	544.36
water	187.01
ethyl acetate	297.26
n-propanol	552.01
acetone	483.14
n-butanol	423.06
acetonitrile	263.34
DMF	1091.72
toluene	13.49
isobutanol	343.51
1,4-dioxane	461.68
methyl acetate	218.6
THF	753.96
2-butanone	228.53
n-pentanol	288.85
sec-butanol	346.05
n-hexane	20.82
ethylene glycol	543.61
NMP	890.54
cyclohexane	11.21
DMSO	1055.81
n-butyl acetate	167.7
n-octanol	161.3
chloroform	83.98
n-propyl acetate	147.52
acetic acid	1668.86
dichloromethane	94.55
cyclohexanone	359.18
propylene glycol	510.39
isopropyl acetate	169.34
DMAc	430.83
2-ethoxyethanol	460.57
isopentanol	306.83
n-heptane	13.99
ethyl formate	258.4
1,2-dichloroethane	97.15
n-hexanol	288.42
2-methoxyethanol	923.37
isobutyl acetate	76.6
tetrachloromethane	14.51
n-pentyl acetate	134.93
transcutol	1018.36
n-heptanol	134.75
ethylbenzene	15.98
MIBK	162.49
2-propoxyethanol	515.52
tert-butanol	619.41
MTBE	140.82
2-butoxyethanol	253.55
propionic acid	687.93
o-xylene	20.35
formic acid	1001.99
diethyl ether	125.67
m-xylene	23.21
p-xylene	21.82
chlorobenzene	42.25
dimethyl carbonate	86.38
n-octane	6.51
formamide	812.38
cyclopentanone	551.43
2-pentanone	268.94
anisole	75.71
cyclopentyl methyl ether	245.64
gamma-butyrolactone	845.18
1-methoxy-2-propanol	665.11
pyridine	129.94
3-pentanone	136.12
furfural	526.25
n-dodecane	7.19
diethylene glycol	486.8
diisopropyl ether	48.13
tert-amyl alcohol	360.52
acetylacetone	323.36
n-hexadecane	7.7
acetophenone	97.32
methyl propionate	244.45
isopentyl acetate	130.23
trichloroethylene	158.71
n-nonanol	128.8
cyclohexanol	275.5
benzyl alcohol	107.7
2-ethylhexanol	124.15
isooctanol	97.1
dipropyl ether	91.46
1,2-dichlorobenzene	51.29
ethyl lactate	116.94
propylene carbonate	371.75
n-methylformamide	707.39
2-pentanol	272.71
n-pentane	14.16
1-propoxy-2-propanol	364.56
1-methoxy-2-propyl acetate	199.38
2-(2-methoxypropoxy) propanol	230.73
mesitylene	21.63
ε-caprolactone	416.1
p-cymene	22.73
epichlorohydrin	459.97
1,1,1-trichloroethane	52.44
2-aminoethanol	690.82
morpholine-4-carbaldehyde	744.09
sulfolane	959.94
2,2,4-trimethylpentane	10.57
2-methyltetrahydrofuran	465.44
n-hexyl acetate	231.97
isooctane	10.16
2-(2-butoxyethoxy)ethanol	409.03
sec-butyl acetate	83.07
tert-butyl acetate	185.93
decalin	10.02
glycerin	657.52
diglyme	453.28
acrylic acid	650.41
isopropyl myristate	80.37
n-butyric acid	657.6
acetyl acetate	174.34
di(2-ethylhexyl) phthalate	91.17
ethyl propionate	136.17
nitromethane	1381.01
1,2-diethoxyethane	174.59
benzonitrile	105.31
trioctyl phosphate	77.56
1-bromopropane	40.87
gamma-valerolactone	787.08
n-decanol	95.54
triethyl phosphate	47.97
4-methyl-2-pentanol	148.26
propionitrile	167.88
vinylene carbonate	284.44
1,1,2-trichlorotrifluoroethane	370.89
DMS	137.61
cumene	20.35
2-octanol	98.69
2-hexanone	149.95
octyl acetate	121.75
limonene	38.2
1,2-dimethoxyethane	427.57
ethyl orthosilicate	45.08
tributyl phosphate	93.23
diacetone alcohol	377.85
N,N-dimethylaniline	62.56
acrylonitrile	238.22
aniline	75.38
1,3-propanediol	742.19
bromobenzene	27.06
dibromomethane	56.86
1,1,2,2-tetrachloroethane	141.67
2-methyl-cyclohexyl acetate	88.21
tetrabutyl urea	124.38
diisobutyl methanol	68.36
2-phenylethanol	115.65
styrene	17.89
dioctyl adipate	115.11
dimethyl sulfate	176.86
ethyl butyrate	99.03
methyl lactate	228.58
butyl lactate	152.65
diethyl carbonate	55.64
propanediol butyl ether	359.44
triethyl orthoformate	65.07
p-tert-butyltoluene	24.26
methyl 4-tert-butylbenzoate	143.5
morpholine	595.33
tert-butylamine	249.98
n-dodecanol	72.41
dimethoxymethane	361.38
ethylene carbonate	233.62
cyrene	199.6
2-ethoxyethyl acetate	180.79
2-ethylhexyl acetate	86.35
1,2,4-trichlorobenzene	66.63
4-methylpyridine	131.13
dibutyl ether	89.81
2,6-dimethyl-4-heptanol	68.36
DEF	338.47
dimethyl isosorbide	337.74
tetrachloroethylene	95.44
eugenol	167.82
triacetin	186.62
span 80	273.42
1,4-butanediol	305.94
1,1-dichloroethane	60.58
2-methyl-1-pentanol	206.95
methyl formate	470.54
2-methyl-1-butanol	258.23
n-decane	10.89
butyronitrile	171.27
3,7-dimethyl-1-octanol	129.27
1-chlorooctane	44.43
1-chlorotetradecane	19.99
n-nonane	10.33
undecane	8.66
tert-butylcyclohexane	13.02
cyclooctane	5.01
cyclopentanol	471.1
tetrahydropyran	273.91
tert-amyl methyl ether	113.83
2,5,8-trioxanonane	380.81
1-hexene	54.87
2-isopropoxyethanol	276.43
2,2,2-trifluoroethanol	446.87
methyl butyrate	186.14

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