Molecular formula
C7H12O2

SMILES
CC=C(C)CCC(=O)O

Fragrance
Fruity	79.93%
Green	63.08%
Cheesy	53.17%
Fatty	51.11%
Sour	40.87%
Waxy	40.43%
Dairy	38.73%
Floral	35.38%
Sweaty	33.52%
Herbal	32.17%

 

Flavor
Green	56.04%
Fatty	36.86%
Woody	31.61%
Oily	27.91%
Cheese	27.15%
Dry	25.94%
Sweet	25.84%
Sour	25.8%
Herbal	24.95%
Acidic	24.87%

 

Odor impact est.
High

XLogP3-AA
1.7

pKa est.
9.03 (weak base)

Molecular weight
128.17 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
224°C

Flash point

• 106.93 ˚C est.

• HZAAQSZZIYJZKF-UHFFFAOYSA-N

4-Methylhex-4-enoic acid is an unsaturated branched carboxylic acid that serves as a versatile building block in chemical synthesis. In industry, it is commonly evaluated as an intermediate for the production of esters and other derivatives used in coatings, inks, and adhesives, and as a monomer or co-monomer for specialty polyesters and related resins through radical or condensation polymerization. Its C=C bond enables functionalization or crosslinking, making it suitable for unsaturated polyester resin formulations and related polymer systems. The compound can also be converted into fragrance- or cosmetic-related intermediates via esterification or hydrofunctionalization. Additionally, it may be used as a starting material in pharmaceutical or agrochemical synthesis routes, subject to formulation and regulatory considerations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	333.8
methanol	307.37
isopropanol	266.8
water	14.47
ethyl acetate	101.08
n-propanol	225.38
acetone	206.99
n-butanol	205.92
acetonitrile	97.1
DMF	430.63
toluene	17.46
isobutanol	169.11
1,4-dioxane	252.07
methyl acetate	106.76
THF	336.76
2-butanone	135.05
n-pentanol	127.59
sec-butanol	200.76
n-hexane	5.89
ethylene glycol	152.75
NMP	270.17
cyclohexane	5.66
DMSO	279.4
n-butyl acetate	73.27
n-octanol	78.45
chloroform	74.65
n-propyl acetate	40.81
acetic acid	191.57
dichloromethane	73.74
cyclohexanone	152.18
propylene glycol	233.11
isopropyl acetate	67.01
DMAc	292.85
2-ethoxyethanol	185.0
isopentanol	177.35
n-heptane	6.49
ethyl formate	84.98
1,2-dichloroethane	47.74
n-hexanol	157.05
2-methoxyethanol	380.28
isobutyl acetate	32.26
tetrachloromethane	20.34
n-pentyl acetate	50.98
transcutol	326.08
n-heptanol	83.04
ethylbenzene	18.64
MIBK	73.19
2-propoxyethanol	235.53
tert-butanol	333.77
MTBE	114.92
2-butoxyethanol	138.19
propionic acid	161.27
o-xylene	25.89
formic acid	113.81
diethyl ether	64.35
m-xylene	26.62
p-xylene	26.39
chlorobenzene	27.23
dimethyl carbonate	42.95
n-octane	3.65
formamide	153.07
cyclopentanone	222.44
2-pentanone	109.58
anisole	61.94
cyclopentyl methyl ether	97.53
gamma-butyrolactone	227.35
1-methoxy-2-propanol	317.17
pyridine	72.62
3-pentanone	59.63
furfural	166.6
n-dodecane	4.25
diethylene glycol	225.67
diisopropyl ether	23.49
tert-amyl alcohol	237.22
acetylacetone	119.1
n-hexadecane	4.57
acetophenone	56.23
methyl propionate	88.63
isopentyl acetate	78.08
trichloroethylene	85.52
n-nonanol	67.15
cyclohexanol	123.59
benzyl alcohol	67.9
2-ethylhexanol	78.55
isooctanol	62.64
dipropyl ether	44.09
1,2-dichlorobenzene	32.19
ethyl lactate	47.6
propylene carbonate	122.48
n-methylformamide	187.7
2-pentanol	124.97
n-pentane	5.99
1-propoxy-2-propanol	161.2
1-methoxy-2-propyl acetate	105.29
2-(2-methoxypropoxy) propanol	133.47
mesitylene	20.07
ε-caprolactone	138.98
p-cymene	22.92
epichlorohydrin	188.03
1,1,1-trichloroethane	53.45
2-aminoethanol	264.69
morpholine-4-carbaldehyde	299.81
sulfolane	263.17
2,2,4-trimethylpentane	7.03
2-methyltetrahydrofuran	203.91
n-hexyl acetate	85.37
isooctane	5.58
2-(2-butoxyethoxy)ethanol	171.39
sec-butyl acetate	35.12
tert-butyl acetate	84.29
decalin	7.15
glycerin	247.89
diglyme	231.32
acrylic acid	122.76
isopropyl myristate	37.58
n-butyric acid	185.66
acetyl acetate	54.73
di(2-ethylhexyl) phthalate	47.96
ethyl propionate	46.91
nitromethane	215.41
1,2-diethoxyethane	77.09
benzonitrile	57.81
trioctyl phosphate	39.21
1-bromopropane	31.06
gamma-valerolactone	291.15
n-decanol	51.14
triethyl phosphate	35.64
4-methyl-2-pentanol	81.65
propionitrile	79.74
vinylene carbonate	93.19
1,1,2-trichlorotrifluoroethane	156.44
DMS	54.75
cumene	21.01
2-octanol	52.91
2-hexanone	60.71
octyl acetate	51.29
limonene	33.99
1,2-dimethoxyethane	204.63
ethyl orthosilicate	34.56
tributyl phosphate	40.5
diacetone alcohol	178.21
N,N-dimethylaniline	57.29
acrylonitrile	93.38
aniline	57.83
1,3-propanediol	296.47
bromobenzene	20.81
dibromomethane	44.15
1,1,2,2-tetrachloroethane	77.75
2-methyl-cyclohexyl acetate	55.87
tetrabutyl urea	58.47
diisobutyl methanol	47.89
2-phenylethanol	81.55
styrene	18.16
dioctyl adipate	55.75
dimethyl sulfate	80.33
ethyl butyrate	52.09
methyl lactate	92.26
butyl lactate	61.81
diethyl carbonate	36.91
propanediol butyl ether	145.47
triethyl orthoformate	41.99
p-tert-butyltoluene	24.32
methyl 4-tert-butylbenzoate	92.4
morpholine	315.34
tert-butylamine	164.62
n-dodecanol	37.97
dimethoxymethane	154.2
ethylene carbonate	79.85
cyrene	116.32
2-ethoxyethyl acetate	75.7
2-ethylhexyl acetate	54.34
1,2,4-trichlorobenzene	44.34
4-methylpyridine	88.19
dibutyl ether	40.36
2,6-dimethyl-4-heptanol	47.89
DEF	127.28
dimethyl isosorbide	177.01
tetrachloroethylene	51.68
eugenol	94.44
triacetin	72.67
span 80	127.83
1,4-butanediol	115.44
1,1-dichloroethane	59.25
2-methyl-1-pentanol	115.05
methyl formate	119.36
2-methyl-1-butanol	159.61
n-decane	5.97
butyronitrile	94.77
3,7-dimethyl-1-octanol	74.14
1-chlorooctane	23.9
1-chlorotetradecane	11.93
n-nonane	5.24
undecane	5.0
tert-butylcyclohexane	9.17
cyclooctane	2.73
cyclopentanol	186.67
tetrahydropyran	144.18
tert-amyl methyl ether	86.01
2,5,8-trioxanonane	193.56
1-hexene	22.66
2-isopropoxyethanol	120.08
2,2,2-trifluoroethanol	82.55
methyl butyrate	63.75

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