Molecular formula
C8H14O2

SMILES
CC(C)OC(=O)C=C(C)C

Fragrance
Fruity	65.09%
Green	62.63%
Sweet	60.07%
Herbal	59.68%
Chamomile	49.02%
Apple	48.55%
Mint	45.7%
Spicy	42.57%
Vegetable	37.16%
Ethereal	36.84%

 

Flavor
Fruity	66.17%
Sweet	62.07%
Green	45.69%
Tropical	39.26%
Berry	35.38%
Herbal	32.99%
Lavender	28.63%
Woody	28.6%
Fruit	27.67%
Citrus	24.45%

 

Odor impact est.
High

XLogP3-AA
2.4

pKa est.
8.93 (weak base)

Molecular weight
142.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
161°C

Flash point

• 53.96 ˚C est.

• Isopropyl 3-methyl-2-butenoate
• SCHEMBL1532529
• QQVQBUXUAZCLLZ-UHFFFAOYSA-N
• AKOS017265435
• 3-Methyl,2-butenoic acid, isopropyl ester
• Crotonic acid, 3-methyl-, isopropyl ester
• 2-Butenoic acid, 3-methyl, 1-methylethyl ester
• Q27260780

Isopropyl 3-methyl-2-butenoate is commonly used as a building block in specialty synthesis and can serve as a fragrance ingredient or odorant in perfumery. It is often employed as a precursor for the synthesis of related aroma esters and other fragrance materials; as a solvent or processing aid in coatings, inks, and cleaning formulations; and as a reactive intermediate or monomer-like component in some specialty polymers and resins. It may also find use in cosmetic and personal care formulations as a fragrance/solvent component, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	494.84
methanol	661.42
isopropanol	443.66
water	9.06
ethyl acetate	227.6
n-propanol	383.37
acetone	404.44
n-butanol	370.92
acetonitrile	323.85
DMF	495.5
toluene	157.92
isobutanol	297.37
1,4-dioxane	580.81
methyl acetate	246.99
THF	902.44
2-butanone	255.76
n-pentanol	249.59
sec-butanol	381.36
n-hexane	169.51
ethylene glycol	146.59
NMP	613.57
cyclohexane	266.06
DMSO	315.1
n-butyl acetate	228.23
n-octanol	290.02
chloroform	1120.96
n-propyl acetate	162.6
acetic acid	733.77
dichloromethane	668.98
cyclohexanone	523.85
propylene glycol	282.72
isopropyl acetate	149.97
DMAc	416.98
2-ethoxyethanol	206.45
isopentanol	275.15
n-heptane	115.05
ethyl formate	227.23
1,2-dichloroethane	290.17
n-hexanol	416.49
2-methoxyethanol	441.21
isobutyl acetate	122.53
tetrachloromethane	167.19
n-pentyl acetate	157.24
transcutol	560.22
n-heptanol	184.69
ethylbenzene	130.76
MIBK	151.07
2-propoxyethanol	412.37
tert-butanol	524.59
MTBE	244.79
2-butoxyethanol	201.25
propionic acid	367.95
o-xylene	127.71
formic acid	205.57
diethyl ether	225.8
m-xylene	124.81
p-xylene	176.09
chlorobenzene	245.44
dimethyl carbonate	120.75
n-octane	48.69
formamide	171.64
cyclopentanone	530.96
2-pentanone	223.59
anisole	205.59
cyclopentyl methyl ether	368.46
gamma-butyrolactone	586.34
1-methoxy-2-propanol	368.1
pyridine	381.61
3-pentanone	167.83
furfural	502.5
n-dodecane	50.49
diethylene glycol	293.23
diisopropyl ether	90.4
tert-amyl alcohol	399.82
acetylacetone	260.13
n-hexadecane	53.71
acetophenone	196.38
methyl propionate	203.47
isopentyl acetate	211.84
trichloroethylene	637.47
n-nonanol	239.58
cyclohexanol	467.5
benzyl alcohol	194.03
2-ethylhexanol	235.99
isooctanol	138.15
dipropyl ether	194.72
1,2-dichlorobenzene	230.69
ethyl lactate	147.51
propylene carbonate	428.59
n-methylformamide	252.44
2-pentanol	259.74
n-pentane	135.86
1-propoxy-2-propanol	317.2
1-methoxy-2-propyl acetate	215.4
2-(2-methoxypropoxy) propanol	276.69
mesitylene	94.23
ε-caprolactone	433.2
p-cymene	109.74
epichlorohydrin	456.16
1,1,1-trichloroethane	403.37
2-aminoethanol	274.47
morpholine-4-carbaldehyde	491.38
sulfolane	602.15
2,2,4-trimethylpentane	63.59
2-methyltetrahydrofuran	550.76
n-hexyl acetate	327.31
isooctane	42.4
2-(2-butoxyethoxy)ethanol	348.83
sec-butyl acetate	114.61
tert-butyl acetate	177.43
decalin	91.52
glycerin	291.76
diglyme	395.68
acrylic acid	324.44
isopropyl myristate	152.17
n-butyric acid	467.86
acetyl acetate	207.98
di(2-ethylhexyl) phthalate	164.95
ethyl propionate	169.08
nitromethane	528.12
1,2-diethoxyethane	181.21
benzonitrile	264.48
trioctyl phosphate	124.46
1-bromopropane	252.82
gamma-valerolactone	602.95
n-decanol	183.87
triethyl phosphate	124.07
4-methyl-2-pentanol	145.3
propionitrile	248.33
vinylene carbonate	388.45
1,1,2-trichlorotrifluoroethane	449.68
DMS	212.59
cumene	102.17
2-octanol	165.81
2-hexanone	184.87
octyl acetate	211.34
limonene	164.69
1,2-dimethoxyethane	370.88
ethyl orthosilicate	117.7
tributyl phosphate	149.19
diacetone alcohol	258.25
N,N-dimethylaniline	166.38
acrylonitrile	268.61
aniline	218.16
1,3-propanediol	317.43
bromobenzene	230.99
dibromomethane	511.22
1,1,2,2-tetrachloroethane	581.42
2-methyl-cyclohexyl acetate	203.7
tetrabutyl urea	189.73
diisobutyl methanol	128.41
2-phenylethanol	242.11
styrene	144.89
dioctyl adipate	221.95
dimethyl sulfate	173.57
ethyl butyrate	187.04
methyl lactate	178.68
butyl lactate	180.27
diethyl carbonate	162.55
propanediol butyl ether	303.07
triethyl orthoformate	150.85
p-tert-butyltoluene	117.4
methyl 4-tert-butylbenzoate	237.76
morpholine	593.66
tert-butylamine	361.69
n-dodecanol	150.37
dimethoxymethane	292.24
ethylene carbonate	306.0
cyrene	255.09
2-ethoxyethyl acetate	167.39
2-ethylhexyl acetate	172.31
1,2,4-trichlorobenzene	273.43
4-methylpyridine	359.56
dibutyl ether	209.57
2,6-dimethyl-4-heptanol	128.41
DEF	248.99
dimethyl isosorbide	408.87
tetrachloroethylene	347.06
eugenol	233.42
triacetin	284.95
span 80	363.58
1,4-butanediol	146.93
1,1-dichloroethane	388.13
2-methyl-1-pentanol	218.44
methyl formate	236.78
2-methyl-1-butanol	277.74
n-decane	74.36
butyronitrile	308.63
3,7-dimethyl-1-octanol	221.6
1-chlorooctane	168.24
1-chlorotetradecane	88.75
n-nonane	77.22
undecane	59.52
tert-butylcyclohexane	82.38
cyclooctane	82.13
cyclopentanol	494.96
tetrahydropyran	584.82
tert-amyl methyl ether	199.42
2,5,8-trioxanonane	367.09
1-hexene	243.78
2-isopropoxyethanol	156.48
2,2,2-trifluoroethanol	202.84
methyl butyrate	221.46

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