Molecular formula
C9H16O2

SMILES
CCCCC(CC=C)C(=O)O

Fragrance
Fruity	70.16%
Cheesy	56.46%
Green	49.26%
Herbal	45.07%
Fatty	39.51%
Earthy	36.47%
Dairy	33.54%
Mushroom	32.01%
Metallic	29.6%
Sour	29.31%

 

Flavor
Green	32.99%
Oily	31.3%
Fatty	29.31%
Fruity	28.24%
Herbal	27.49%
Waxy	24.8%
Cheese	22.54%
Cultured dairy	20.63%
Bay oil	20.08%
Roquefort cheese	19.96%

 

Odor impact est.
Medium

XLogP3-AA
2.8

pKa est.
7.81 (neutral)

Molecular weight
156.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
237°C

Flash point

• 110.23 ˚C est.

• SCHEMBL570260

2-Prop-2-enylhexanoic acid is an allyl-functional fatty acid that is primarily used as an intermediate in organic synthesis and as a versatile building block across industries. In fragrance and flavor chemistry, it is used to prepare allyl esters and other derivatives that contribute to aroma profiles. In polymers and plastics, it acts as a monomer or comonomer with an allyl group suitable for radical polymerization and crosslinking, making it appropriate for systems such as UV-curable coatings and adhesives. As a reactive diluent in UV-curable coating systems, the allyl group enables post-application crosslinking to improve finish and adhesion. In cosmetics and personal care, it may serve as a precursor for fragrance esters or other functional ingredients. Additionally, it can function as an industrial starting material for the synthesis of specialty chemicals, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1104.56
methanol	1297.35
isopropanol	1047.85
water	0.96
ethyl acetate	287.1
n-propanol	854.72
acetone	582.15
n-butanol	770.7
acetonitrile	208.82
DMF	1181.3
toluene	98.04
isobutanol	658.22
1,4-dioxane	592.2
methyl acetate	249.99
THF	1024.58
2-butanone	418.6
n-pentanol	594.33
sec-butanol	752.68
n-hexane	74.07
ethylene glycol	183.34
NMP	717.1
cyclohexane	61.57
DMSO	1047.5
n-butyl acetate	435.99
n-octanol	219.19
chloroform	373.94
n-propyl acetate	226.37
acetic acid	401.28
dichloromethane	322.7
cyclohexanone	614.39
propylene glycol	300.61
isopropyl acetate	240.48
DMAc	615.92
2-ethoxyethanol	423.78
isopentanol	641.77
n-heptane	32.17
ethyl formate	221.27
1,2-dichloroethane	284.24
n-hexanol	743.21
2-methoxyethanol	724.61
isobutyl acetate	182.04
tetrachloromethane	61.88
n-pentyl acetate	203.76
transcutol	924.67
n-heptanol	253.88
ethylbenzene	89.25
MIBK	279.51
2-propoxyethanol	706.94
tert-butanol	1015.36
MTBE	503.65
2-butoxyethanol	328.03
propionic acid	373.9
o-xylene	101.82
formic acid	138.18
diethyl ether	361.08
m-xylene	114.23
p-xylene	110.09
chlorobenzene	158.83
dimethyl carbonate	72.46
n-octane	16.03
formamide	152.12
cyclopentanone	644.84
2-pentanone	415.47
anisole	178.15
cyclopentyl methyl ether	400.54
gamma-butyrolactone	623.64
1-methoxy-2-propanol	652.71
pyridine	315.94
3-pentanone	212.21
furfural	424.81
n-dodecane	14.68
diethylene glycol	432.13
diisopropyl ether	128.73
tert-amyl alcohol	701.45
acetylacetone	306.38
n-hexadecane	16.36
acetophenone	174.15
methyl propionate	222.59
isopentyl acetate	404.39
trichloroethylene	456.78
n-nonanol	179.05
cyclohexanol	488.55
benzyl alcohol	196.11
2-ethylhexanol	326.5
isooctanol	202.85
dipropyl ether	215.21
1,2-dichlorobenzene	152.32
ethyl lactate	123.15
propylene carbonate	340.04
n-methylformamide	397.96
2-pentanol	546.12
n-pentane	54.36
1-propoxy-2-propanol	518.38
1-methoxy-2-propyl acetate	318.54
2-(2-methoxypropoxy) propanol	262.96
mesitylene	93.91
ε-caprolactone	485.56
p-cymene	79.44
epichlorohydrin	586.62
1,1,1-trichloroethane	230.97
2-aminoethanol	421.15
morpholine-4-carbaldehyde	537.79
sulfolane	740.88
2,2,4-trimethylpentane	37.28
2-methyltetrahydrofuran	686.6
n-hexyl acetate	290.76
isooctane	38.37
2-(2-butoxyethoxy)ethanol	378.34
sec-butyl acetate	171.02
tert-butyl acetate	287.48
decalin	42.36
glycerin	297.13
diglyme	532.21
acrylic acid	248.68
isopropyl myristate	107.97
n-butyric acid	572.79
acetyl acetate	133.73
di(2-ethylhexyl) phthalate	115.62
ethyl propionate	161.95
nitromethane	393.65
1,2-diethoxyethane	290.74
benzonitrile	207.27
trioctyl phosphate	98.18
1-bromopropane	227.67
gamma-valerolactone	715.56
n-decanol	135.13
triethyl phosphate	86.87
4-methyl-2-pentanol	300.48
propionitrile	248.44
vinylene carbonate	256.87
1,1,2-trichlorotrifluoroethane	341.33
DMS	135.83
cumene	80.08
2-octanol	175.46
2-hexanone	298.22
octyl acetate	142.08
limonene	134.01
1,2-dimethoxyethane	586.15
ethyl orthosilicate	90.32
tributyl phosphate	103.27
diacetone alcohol	390.38
N,N-dimethylaniline	150.84
acrylonitrile	260.17
aniline	178.53
1,3-propanediol	540.26
bromobenzene	136.96
dibromomethane	242.94
1,1,2,2-tetrachloroethane	423.95
2-methyl-cyclohexyl acetate	193.44
tetrabutyl urea	141.56
diisobutyl methanol	169.66
2-phenylethanol	252.25
styrene	94.99
dioctyl adipate	145.29
dimethyl sulfate	137.87
ethyl butyrate	214.69
methyl lactate	161.23
butyl lactate	185.78
diethyl carbonate	116.28
propanediol butyl ether	340.79
triethyl orthoformate	145.61
p-tert-butyltoluene	83.85
methyl 4-tert-butylbenzoate	194.87
morpholine	828.92
tert-butylamine	604.44
n-dodecanol	102.36
dimethoxymethane	415.65
ethylene carbonate	224.86
cyrene	224.02
2-ethoxyethyl acetate	219.73
2-ethylhexyl acetate	280.32
1,2,4-trichlorobenzene	173.19
4-methylpyridine	353.36
dibutyl ether	161.74
2,6-dimethyl-4-heptanol	169.66
DEF	412.48
dimethyl isosorbide	389.87
tetrachloroethylene	271.03
eugenol	201.46
triacetin	175.87
span 80	273.11
1,4-butanediol	259.58
1,1-dichloroethane	305.5
2-methyl-1-pentanol	474.62
methyl formate	233.54
2-methyl-1-butanol	562.2
n-decane	22.34
butyronitrile	371.06
3,7-dimethyl-1-octanol	213.35
1-chlorooctane	97.41
1-chlorotetradecane	41.38
n-nonane	21.5
undecane	17.65
tert-butylcyclohexane	47.62
cyclooctane	21.34
cyclopentanol	579.16
tetrahydropyran	683.78
tert-amyl methyl ether	328.26
2,5,8-trioxanonane	377.66
1-hexene	260.19
2-isopropoxyethanol	317.03
2,2,2-trifluoroethanol	93.2
methyl butyrate	262.79

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