Molecular formula
C8H14O4

SMILES
CCC(=O)C(C)(C(=O)OCC)O

Fragrance
Caramellic	71.95%
Sweet	70.06%
Buttery	67.62%
Fruity	59.45%
Creamy	52.48%
Milky	41.0%
Nutty	38.79%
Fatty	33.41%
Winey	31.0%
Dairy	30.28%

 

Flavor
Fruity	71.38%
Creamy	43.26%
Buttery	35.86%
Mild	29.6%
Bitter	29.1%
Sweet	28.61%
Grape	28.4%
Fatty	27.54%
Butter	26.46%
Berry	25.56%

 

Odor impact est.
High

XLogP3-AA
0.4

pKa est.
7.96 (neutral)

Molecular weight
174.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
216°C

Flash point

• 89.02 ˚C est.

Ethyl 2-hydroxy-2-methyl-3-oxopentanoate is a beta-ketoester that serves as a versatile building block in organic synthesis. In industry, it is commonly used as an intermediate for pharmaceutical and fine chemical manufacturing, enabling subsequent transformations to active compounds. It is also evaluated as a precursor in agrochemical synthesis and related crop-protection chemistries. As a flexible starting material, it supports formation of heterocyclic systems via reactions such as Claisen condensations and Michael additions. In fragrance and cosmetics, it may be used as a fragrance intermediate or precursor to aroma compounds, and it can be considered for use in personal care formulations where controlled ester and keto functionalities are valuable.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1482.44
methanol	2401.22
isopropanol	1244.69
water	21.47
ethyl acetate	677.43
n-propanol	1232.65
acetone	1221.38
n-butanol	1069.62
acetonitrile	953.23
DMF	1872.71
toluene	341.42
isobutanol	906.74
1,4-dioxane	2223.37
methyl acetate	808.46
THF	1552.89
2-butanone	871.29
n-pentanol	921.62
sec-butanol	1209.54
n-hexane	74.82
ethylene glycol	501.51
NMP	1072.82
cyclohexane	174.15
DMSO	1571.57
n-butyl acetate	382.87
n-octanol	320.85
chloroform	1750.51
n-propyl acetate	472.39
acetic acid	1406.11
dichloromethane	1605.3
cyclohexanone	1097.37
propylene glycol	454.34
isopropyl acetate	400.2
DMAc	1247.87
2-ethoxyethanol	1366.25
isopentanol	815.44
n-heptane	39.82
ethyl formate	706.93
1,2-dichloroethane	1038.38
n-hexanol	551.26
2-methoxyethanol	1962.99
isobutyl acetate	247.34
tetrachloromethane	331.53
n-pentyl acetate	316.45
transcutol	1149.46
n-heptanol	295.45
ethylbenzene	249.05
MIBK	393.76
2-propoxyethanol	855.39
tert-butanol	1538.25
MTBE	921.37
2-butoxyethanol	505.16
propionic acid	701.99
o-xylene	289.99
formic acid	922.81
diethyl ether	887.96
m-xylene	224.81
p-xylene	334.55
chlorobenzene	477.89
dimethyl carbonate	299.04
n-octane	30.15
formamide	1109.15
cyclopentanone	1003.03
2-pentanone	664.42
anisole	506.94
cyclopentyl methyl ether	603.01
gamma-butyrolactone	1214.23
1-methoxy-2-propanol	1009.91
pyridine	1002.25
3-pentanone	526.75
furfural	1166.81
n-dodecane	29.29
diethylene glycol	821.11
diisopropyl ether	210.79
tert-amyl alcohol	1385.97
acetylacetone	689.9
n-hexadecane	33.18
acetophenone	499.24
methyl propionate	562.35
isopentyl acetate	335.41
trichloroethylene	1751.33
n-nonanol	260.68
cyclohexanol	1025.66
benzyl alcohol	599.88
2-ethylhexanol	267.9
isooctanol	230.8
dipropyl ether	233.21
1,2-dichlorobenzene	457.32
ethyl lactate	254.9
propylene carbonate	632.78
n-methylformamide	1201.5
2-pentanol	690.24
n-pentane	92.64
1-propoxy-2-propanol	441.31
1-methoxy-2-propyl acetate	328.49
2-(2-methoxypropoxy) propanol	319.23
mesitylene	166.24
ε-caprolactone	862.45
p-cymene	130.44
epichlorohydrin	1407.36
1,1,1-trichloroethane	882.51
2-aminoethanol	788.85
morpholine-4-carbaldehyde	1276.21
sulfolane	1269.35
2,2,4-trimethylpentane	68.33
2-methyltetrahydrofuran	1088.51
n-hexyl acetate	439.72
isooctane	41.68
2-(2-butoxyethoxy)ethanol	485.51
sec-butyl acetate	273.47
tert-butyl acetate	448.06
decalin	80.86
glycerin	655.46
diglyme	964.1
acrylic acid	634.79
isopropyl myristate	149.82
n-butyric acid	864.87
acetyl acetate	416.03
di(2-ethylhexyl) phthalate	154.51
ethyl propionate	402.33
nitromethane	1975.21
1,2-diethoxyethane	454.49
benzonitrile	615.77
trioctyl phosphate	127.9
1-bromopropane	589.37
gamma-valerolactone	1382.53
n-decanol	182.0
triethyl phosphate	150.5
4-methyl-2-pentanol	321.41
propionitrile	764.5
vinylene carbonate	670.18
1,1,2-trichlorotrifluoroethane	998.4
DMS	300.46
cumene	174.85
2-octanol	241.16
2-hexanone	486.18
octyl acetate	205.22
limonene	195.21
1,2-dimethoxyethane	1670.39
ethyl orthosilicate	145.77
tributyl phosphate	134.36
diacetone alcohol	541.22
N,N-dimethylaniline	355.49
acrylonitrile	897.23
aniline	509.49
1,3-propanediol	1093.81
bromobenzene	448.71
dibromomethane	1056.52
1,1,2,2-tetrachloroethane	1417.94
2-methyl-cyclohexyl acetate	237.54
tetrabutyl urea	182.1
diisobutyl methanol	160.41
2-phenylethanol	386.06
styrene	303.91
dioctyl adipate	196.89
dimethyl sulfate	473.99
ethyl butyrate	273.39
methyl lactate	335.91
butyl lactate	238.38
diethyl carbonate	197.84
propanediol butyl ether	427.08
triethyl orthoformate	192.53
p-tert-butyltoluene	128.55
methyl 4-tert-butylbenzoate	330.89
morpholine	2047.2
tert-butylamine	889.24
n-dodecanol	133.68
dimethoxymethane	1051.2
ethylene carbonate	593.75
cyrene	398.18
2-ethoxyethyl acetate	361.6
2-ethylhexyl acetate	250.53
1,2,4-trichlorobenzene	541.93
4-methylpyridine	884.14
dibutyl ether	240.99
2,6-dimethyl-4-heptanol	160.41
DEF	853.33
dimethyl isosorbide	476.57
tetrachloroethylene	1057.02
eugenol	339.93
triacetin	315.16
span 80	274.89
1,4-butanediol	640.71
1,1-dichloroethane	953.62
2-methyl-1-pentanol	711.27
methyl formate	1038.94
2-methyl-1-butanol	864.36
n-decane	47.56
butyronitrile	799.17
3,7-dimethyl-1-octanol	245.02
1-chlorooctane	185.29
1-chlorotetradecane	73.4
n-nonane	45.55
undecane	36.34
tert-butylcyclohexane	71.37
cyclooctane	49.1
cyclopentanol	915.4
tetrahydropyran	1513.68
tert-amyl methyl ether	647.31
2,5,8-trioxanonane	587.96
1-hexene	266.22
2-isopropoxyethanol	722.27
2,2,2-trifluoroethanol	469.77
methyl butyrate	581.41

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