Molecular formula
C6H10O2

SMILES
C[C@@H](CC=C)C(=O)O

Fragrance
Fruity	83.6%
Cheesy	70.39%
Sour	41.72%
Pungent	35.93%
Dairy	34.5%
Tropical	30.72%
Sharp	29.71%
Sweaty	28.97%
Buttery	28.9%
Green	28.82%

 

Flavor
Cheese	28.27%
Sour	27.84%
Pungent	26.05%
Odorless	25.45%
Acidic	24.88%
Roquefort cheese	20.95%
Soy	20.38%
Stinky	20.13%
Acetoin	19.45%
Mousy	19.4%

 

Odor impact est.
High

XLogP3-AA
1.4

pKa est.
7.54 (neutral)

Molecular weight
114.14 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
191°C

Flash point

• 84.85 ˚C est.

• (S)-2-Methyl-4-pentenoic acid
• SCHEMBL2536422
• (S)-2-methylpent-4-enoic acid
• HVRZYSHVZOELOH-YFKPBYRVSA-N
• AKOS006376238

(S)-2-Methyl-4-pentenoic acid is a chiral allylic carboxylic acid used as a building block and synthetic intermediate in pharmaceutical and agrochemical synthesis; it also serves as a precursor for enantioenriched esters and complex natural-product-type compounds; in polymer chemistry, it can function as a functional monomer or intermediate for specialty polymers and resins; in fragrance and flavor chemistry, it is employed as a precursor to chiral aroma compounds; in cosmetics and personal care, it is used to synthesize esters and other specialty ingredients; and in coatings and inks, it can act as a reactive monomer or crosslinkable precursor.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	177.13
methanol	257.78
isopropanol	161.91
water	27.93
ethyl acetate	41.7
n-propanol	129.43
acetone	69.49
n-butanol	111.31
acetonitrile	32.13
DMF	198.17
toluene	13.74
isobutanol	120.17
1,4-dioxane	141.93
methyl acetate	52.95
THF	192.25
2-butanone	61.71
n-pentanol	122.31
sec-butanol	145.96
n-hexane	11.42
ethylene glycol	108.17
NMP	203.08
cyclohexane	4.28
DMSO	172.32
n-butyl acetate	63.57
n-octanol	76.27
chloroform	40.74
n-propyl acetate	41.62
acetic acid	107.16
dichloromethane	31.95
cyclohexanone	91.57
propylene glycol	120.6
isopropyl acetate	40.56
DMAc	175.55
2-ethoxyethanol	163.27
isopentanol	122.11
n-heptane	6.79
ethyl formate	45.65
1,2-dichloroethane	29.0
n-hexanol	158.15
2-methoxyethanol	201.9
isobutyl acetate	38.69
tetrachloromethane	16.0
n-pentyl acetate	50.14
transcutol	280.2
n-heptanol	88.05
ethylbenzene	20.05
MIBK	67.12
2-propoxyethanol	212.08
tert-butanol	239.32
MTBE	109.05
2-butoxyethanol	131.52
propionic acid	98.48
o-xylene	26.66
formic acid	103.72
diethyl ether	37.81
m-xylene	26.54
p-xylene	27.92
chlorobenzene	22.18
dimethyl carbonate	19.01
n-octane	4.66
formamide	77.51
cyclopentanone	123.93
2-pentanone	59.01
anisole	52.0
cyclopentyl methyl ether	85.59
gamma-butyrolactone	132.74
1-methoxy-2-propanol	173.0
pyridine	38.32
3-pentanone	37.15
furfural	115.77
n-dodecane	4.84
diethylene glycol	177.74
diisopropyl ether	26.87
tert-amyl alcohol	210.69
acetylacetone	68.72
n-hexadecane	5.12
acetophenone	53.44
methyl propionate	39.91
isopentyl acetate	72.18
trichloroethylene	56.54
n-nonanol	64.99
cyclohexanol	82.78
benzyl alcohol	60.57
2-ethylhexanol	82.15
isooctanol	75.6
dipropyl ether	34.78
1,2-dichlorobenzene	29.34
ethyl lactate	44.63
propylene carbonate	75.08
n-methylformamide	93.06
2-pentanol	99.29
n-pentane	6.47
1-propoxy-2-propanol	136.68
1-methoxy-2-propyl acetate	73.3
2-(2-methoxypropoxy) propanol	118.14
mesitylene	23.57
ε-caprolactone	95.32
p-cymene	22.85
epichlorohydrin	110.37
1,1,1-trichloroethane	33.43
2-aminoethanol	163.53
morpholine-4-carbaldehyde	175.05
sulfolane	195.28
2,2,4-trimethylpentane	10.46
2-methyltetrahydrofuran	134.57
n-hexyl acetate	78.63
isooctane	9.81
2-(2-butoxyethoxy)ethanol	161.16
sec-butyl acetate	38.37
tert-butyl acetate	71.13
decalin	8.57
glycerin	147.48
diglyme	189.96
acrylic acid	83.87
isopropyl myristate	34.77
n-butyric acid	96.36
acetyl acetate	28.0
di(2-ethylhexyl) phthalate	43.46
ethyl propionate	35.61
nitromethane	95.98
1,2-diethoxyethane	65.64
benzonitrile	41.71
trioctyl phosphate	38.2
1-bromopropane	18.99
gamma-valerolactone	155.83
n-decanol	52.08
triethyl phosphate	27.56
4-methyl-2-pentanol	83.75
propionitrile	34.68
vinylene carbonate	60.34
1,1,2-trichlorotrifluoroethane	103.59
DMS	40.46
cumene	24.96
2-octanol	61.16
2-hexanone	62.03
octyl acetate	48.76
limonene	31.44
1,2-dimethoxyethane	158.53
ethyl orthosilicate	29.37
tributyl phosphate	37.91
diacetone alcohol	135.16
N,N-dimethylaniline	53.62
acrylonitrile	42.84
aniline	34.62
1,3-propanediol	159.62
bromobenzene	16.51
dibromomethane	21.69
1,1,2,2-tetrachloroethane	60.53
2-methyl-cyclohexyl acetate	53.27
tetrabutyl urea	50.79
diisobutyl methanol	48.55
2-phenylethanol	79.0
styrene	17.63
dioctyl adipate	45.32
dimethyl sulfate	47.66
ethyl butyrate	39.47
methyl lactate	57.76
butyl lactate	58.71
diethyl carbonate	24.28
propanediol butyl ether	131.74
triethyl orthoformate	32.67
p-tert-butyltoluene	23.42
methyl 4-tert-butylbenzoate	77.05
morpholine	149.08
tert-butylamine	134.77
n-dodecanol	40.27
dimethoxymethane	86.91
ethylene carbonate	47.62
cyrene	102.54
2-ethoxyethyl acetate	62.49
2-ethylhexyl acetate	53.1
1,2,4-trichlorobenzene	36.95
4-methylpyridine	52.12
dibutyl ether	34.33
2,6-dimethyl-4-heptanol	48.55
DEF	78.12
dimethyl isosorbide	149.59
tetrachloroethylene	47.55
eugenol	91.04
triacetin	57.53
span 80	105.35
1,4-butanediol	115.99
1,1-dichloroethane	30.05
2-methyl-1-pentanol	129.43
methyl formate	66.57
2-methyl-1-butanol	117.17
n-decane	7.21
butyronitrile	42.22
3,7-dimethyl-1-octanol	75.73
1-chlorooctane	27.53
1-chlorotetradecane	12.84
n-nonane	6.68
undecane	5.79
tert-butylcyclohexane	12.92
cyclooctane	3.19
cyclopentanol	120.44
tetrahydropyran	81.35
tert-amyl methyl ether	88.62
2,5,8-trioxanonane	159.86
1-hexene	30.65
2-isopropoxyethanol	133.02
2,2,2-trifluoroethanol	52.69
methyl butyrate	53.25

Scent© AI