Molecular formula
C5H8O2

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

Fragrance
Caramellic	72.11%
Buttery	59.24%
Fatty	51.0%
Sweet	48.32%
Creamy	45.13%
Pungent	42.9%
Nutty	39.48%
Burnt	37.64%
Milky	36.34%
Dairy	34.67%

 

Flavor
Sweet	68.83%
Caramel	51.18%
Creamy	43.0%
Butter	41.28%
Pungent	38.59%
Buttery	35.33%
Nutty	35.13%
Brown	34.77%
Dry	31.8%
Phenolic	30.58%

 

Odor impact est.
High

XLogP3-AA
0.6

pKa est.
8.12 (weak base)

Molecular weight
100.12 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
174°C

Flash point

• 52.37 ˚C est.

3-Hydroxypent-3-en-2-one is commonly used as an intermediate in the synthesis of fragrance and flavor compounds, and can serve as a building block for cosmetic and personal care ingredients. It is also evaluated as a precursor for pharmaceutical synthesis and may be employed as a precursor for specialty polymers and for coatings and inks formulations. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	506.17
methanol	897.7
isopropanol	344.49
water	124.74
ethyl acetate	142.48
n-propanol	356.11
acetone	230.28
n-butanol	318.94
acetonitrile	243.13
DMF	415.7
toluene	35.71
isobutanol	287.81
1,4-dioxane	403.82
methyl acetate	181.43
THF	413.48
2-butanone	189.43
n-pentanol	271.81
sec-butanol	303.4
n-hexane	43.46
ethylene glycol	210.26
NMP	372.56
cyclohexane	26.06
DMSO	479.01
n-butyl acetate	103.68
n-octanol	116.4
chloroform	233.46
n-propyl acetate	102.71
acetic acid	441.24
dichloromethane	281.89
cyclohexanone	217.41
propylene glycol	146.98
isopropyl acetate	84.97
DMAc	314.78
2-ethoxyethanol	436.96
isopentanol	278.94
n-heptane	23.47
ethyl formate	165.71
1,2-dichloroethane	195.23
n-hexanol	173.0
2-methoxyethanol	541.19
isobutyl acetate	61.15
tetrachloromethane	76.56
n-pentyl acetate	101.03
transcutol	681.0
n-heptanol	107.66
ethylbenzene	40.82
MIBK	120.4
2-propoxyethanol	258.43
tert-butanol	455.56
MTBE	257.69
2-butoxyethanol	179.51
propionic acid	243.21
o-xylene	49.68
formic acid	498.8
diethyl ether	219.25
m-xylene	38.13
p-xylene	57.77
chlorobenzene	69.08
dimethyl carbonate	51.87
n-octane	14.02
formamide	547.72
cyclopentanone	272.91
2-pentanone	158.72
anisole	119.28
cyclopentyl methyl ether	171.51
gamma-butyrolactone	345.62
1-methoxy-2-propanol	304.47
pyridine	149.1
3-pentanone	111.69
furfural	327.0
n-dodecane	10.2
diethylene glycol	266.87
diisopropyl ether	66.04
tert-amyl alcohol	396.12
acetylacetone	144.99
n-hexadecane	10.97
acetophenone	106.98
methyl propionate	121.67
isopentyl acetate	102.6
trichloroethylene	268.85
n-nonanol	96.42
cyclohexanol	184.58
benzyl alcohol	128.23
2-ethylhexanol	99.72
isooctanol	88.33
dipropyl ether	85.78
1,2-dichlorobenzene	85.52
ethyl lactate	69.01
propylene carbonate	153.47
n-methylformamide	338.45
2-pentanol	207.43
n-pentane	38.43
1-propoxy-2-propanol	152.86
1-methoxy-2-propyl acetate	104.93
2-(2-methoxypropoxy) propanol	156.61
mesitylene	32.24
ε-caprolactone	210.67
p-cymene	37.19
epichlorohydrin	342.15
1,1,1-trichloroethane	133.65
2-aminoethanol	313.36
morpholine-4-carbaldehyde	403.62
sulfolane	387.03
2,2,4-trimethylpentane	31.68
2-methyltetrahydrofuran	311.43
n-hexyl acetate	143.18
isooctane	19.38
2-(2-butoxyethoxy)ethanol	228.19
sec-butyl acetate	68.51
tert-butyl acetate	124.57
decalin	21.18
glycerin	227.32
diglyme	382.27
acrylic acid	216.57
isopropyl myristate	55.7
n-butyric acid	252.11
acetyl acetate	79.71
di(2-ethylhexyl) phthalate	58.45
ethyl propionate	82.42
nitromethane	485.45
1,2-diethoxyethane	198.43
benzonitrile	128.21
trioctyl phosphate	48.08
1-bromopropane	118.56
gamma-valerolactone	363.81
n-decanol	68.44
triethyl phosphate	54.57
4-methyl-2-pentanol	126.19
propionitrile	164.53
vinylene carbonate	144.87
1,1,2-trichlorotrifluoroethane	244.3
DMS	92.34
cumene	43.2
2-octanol	83.85
2-hexanone	132.9
octyl acetate	71.43
limonene	57.2
1,2-dimethoxyethane	450.85
ethyl orthosilicate	57.67
tributyl phosphate	59.1
diacetone alcohol	188.84
N,N-dimethylaniline	99.57
acrylonitrile	200.1
aniline	94.42
1,3-propanediol	393.06
bromobenzene	52.66
dibromomethane	186.36
1,1,2,2-tetrachloroethane	212.1
2-methyl-cyclohexyl acetate	82.51
tetrabutyl urea	71.81
diisobutyl methanol	64.42
2-phenylethanol	100.95
styrene	46.27
dioctyl adipate	75.14
dimethyl sulfate	101.05
ethyl butyrate	81.74
methyl lactate	83.07
butyl lactate	86.16
diethyl carbonate	57.4
propanediol butyl ether	163.38
triethyl orthoformate	69.62
p-tert-butyltoluene	35.25
methyl 4-tert-butylbenzoate	111.99
morpholine	404.26
tert-butylamine	293.04
n-dodecanol	51.59
dimethoxymethane	244.93
ethylene carbonate	117.07
cyrene	153.48
2-ethoxyethyl acetate	143.87
2-ethylhexyl acetate	79.28
1,2,4-trichlorobenzene	96.6
4-methylpyridine	158.49
dibutyl ether	98.51
2,6-dimethyl-4-heptanol	64.42
DEF	205.82
dimethyl isosorbide	220.53
tetrachloroethylene	192.95
eugenol	129.29
triacetin	116.31
span 80	124.15
1,4-butanediol	227.03
1,1-dichloroethane	153.73
2-methyl-1-pentanol	240.66
methyl formate	241.0
2-methyl-1-butanol	280.57
n-decane	17.52
butyronitrile	185.91
3,7-dimethyl-1-octanol	101.63
1-chlorooctane	56.39
1-chlorotetradecane	23.87
n-nonane	17.69
undecane	12.79
tert-butylcyclohexane	25.75
cyclooctane	11.31
cyclopentanol	237.08
tetrahydropyran	254.38
tert-amyl methyl ether	207.14
2,5,8-trioxanonane	268.86
1-hexene	99.17
2-isopropoxyethanol	246.96
2,2,2-trifluoroethanol	204.45
methyl butyrate	130.28

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