Molecular formula
C8H14O4

SMILES
CCC(COC(=O)C)C(=O)OC

Fragrance
Fruity	96.71%
Apple	58.73%
Tropical	55.3%
Pineapple	47.5%
Sweet	46.59%
Green	44.49%
Ethereal	43.4%
Winey	42.47%
Fresh	34.69%
Grape	34.55%

 

Flavor
Fruity	89.69%
Green	44.46%
Apple	44.21%
Sweet	42.37%
Tropical	41.21%
Bitter	39.8%
Fruit	38.09%
Grape	37.01%
Mild	35.04%
Berry	34.84%

 

Odor impact est.
Medium

XLogP3-AA
0.9

pKa est.
7.53 (neutral)

Molecular weight
174.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
209°C

Flash point

• 83.23 ˚C est.

Methyl 2-(acetyloxymethyl)butanoate is primarily used as an organic synthesis intermediate, serving as a building block for the development of fragrance and flavor compounds. It is commonly evaluated as a precursor in perfumery and cosmetics to enable the synthesis of aroma esters and related materials. The compound may also function as a protecting-group reagent (acetoxymethyl) in carbohydrate- or asymmetric-synthesis routes. In industrial manufacturing, it can be used as a reactive-ester building block for specialty polymers and coating formulations, and may appear as a starting material in pharmaceutical intermediate synthesis where stereochemical considerations are important.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	842.97
methanol	1458.47
isopropanol	765.99
water	29.66
ethyl acetate	452.38
n-propanol	604.74
acetone	1267.51
n-butanol	443.87
acetonitrile	1015.81
DMF	1990.79
toluene	204.99
isobutanol	465.15
1,4-dioxane	977.86
methyl acetate	571.43
THF	1097.58
2-butanone	638.14
n-pentanol	313.47
sec-butanol	579.16
n-hexane	22.11
ethylene glycol	267.6
NMP	1990.31
cyclohexane	33.75
DMSO	1719.9
n-butyl acetate	182.84
n-octanol	87.83
chloroform	1319.14
n-propyl acetate	228.98
acetic acid	2269.7
dichloromethane	1341.15
cyclohexanone	965.44
propylene glycol	304.78
isopropyl acetate	252.94
DMAc	1623.38
2-ethoxyethanol	571.55
isopentanol	368.19
n-heptane	6.92
ethyl formate	452.54
1,2-dichloroethane	740.33
n-hexanol	163.15
2-methoxyethanol	1031.77
isobutyl acetate	141.68
tetrachloromethane	130.93
n-pentyl acetate	127.42
transcutol	818.63
n-heptanol	70.84
ethylbenzene	117.46
MIBK	232.6
2-propoxyethanol	332.36
tert-butanol	876.83
MTBE	438.1
2-butoxyethanol	173.11
propionic acid	836.96
o-xylene	176.3
formic acid	1141.66
diethyl ether	319.79
m-xylene	152.21
p-xylene	178.31
chlorobenzene	349.82
dimethyl carbonate	221.31
n-octane	4.1
formamide	1346.6
cyclopentanone	1119.3
2-pentanone	433.21
anisole	288.8
cyclopentyl methyl ether	437.9
gamma-butyrolactone	1571.21
1-methoxy-2-propanol	617.89
pyridine	748.23
3-pentanone	321.55
furfural	1296.4
n-dodecane	4.62
diethylene glycol	331.92
diisopropyl ether	71.3
tert-amyl alcohol	679.47
acetylacetone	576.74
n-hexadecane	5.38
acetophenone	355.27
methyl propionate	436.86
isopentyl acetate	173.31
trichloroethylene	1593.86
n-nonanol	73.27
cyclohexanol	516.74
benzyl alcohol	345.82
2-ethylhexanol	90.34
isooctanol	62.26
dipropyl ether	73.97
1,2-dichlorobenzene	364.94
ethyl lactate	149.29
propylene carbonate	673.86
n-methylformamide	1135.16
2-pentanol	275.57
n-pentane	18.63
1-propoxy-2-propanol	185.16
1-methoxy-2-propyl acetate	202.23
2-(2-methoxypropoxy) propanol	210.57
mesitylene	87.51
ε-caprolactone	830.23
p-cymene	53.66
epichlorohydrin	1230.92
1,1,1-trichloroethane	576.89
2-aminoethanol	462.99
morpholine-4-carbaldehyde	1273.07
sulfolane	1660.94
2,2,4-trimethylpentane	19.2
2-methyltetrahydrofuran	783.96
n-hexyl acetate	202.9
isooctane	9.58
2-(2-butoxyethoxy)ethanol	253.0
sec-butyl acetate	158.23
tert-butyl acetate	270.49
decalin	24.44
glycerin	440.89
diglyme	493.85
acrylic acid	816.0
isopropyl myristate	63.69
n-butyric acid	766.87
acetyl acetate	371.84
di(2-ethylhexyl) phthalate	93.69
ethyl propionate	229.39
nitromethane	2908.99
1,2-diethoxyethane	181.86
benzonitrile	448.74
trioctyl phosphate	58.68
1-bromopropane	298.34
gamma-valerolactone	1507.53
n-decanol	50.25
triethyl phosphate	94.36
4-methyl-2-pentanol	130.69
propionitrile	505.86
vinylene carbonate	672.07
1,1,2-trichlorotrifluoroethane	955.0
DMS	221.09
cumene	83.99
2-octanol	55.67
2-hexanone	253.59
octyl acetate	87.14
limonene	78.24
1,2-dimethoxyethane	772.46
ethyl orthosilicate	84.82
tributyl phosphate	83.48
diacetone alcohol	382.43
N,N-dimethylaniline	213.57
acrylonitrile	734.75
aniline	413.55
1,3-propanediol	576.46
bromobenzene	310.78
dibromomethane	725.61
1,1,2,2-tetrachloroethane	1130.43
2-methyl-cyclohexyl acetate	146.2
tetrabutyl urea	113.98
diisobutyl methanol	53.66
2-phenylethanol	187.1
styrene	145.99
dioctyl adipate	120.96
dimethyl sulfate	512.07
ethyl butyrate	140.79
methyl lactate	271.52
butyl lactate	128.29
diethyl carbonate	117.28
propanediol butyl ether	216.75
triethyl orthoformate	103.89
p-tert-butyltoluene	49.11
methyl 4-tert-butylbenzoate	208.84
morpholine	1192.03
tert-butylamine	426.05
n-dodecanol	37.1
dimethoxymethane	581.19
ethylene carbonate	493.07
cyrene	319.89
2-ethoxyethyl acetate	192.86
2-ethylhexyl acetate	134.91
1,2,4-trichlorobenzene	471.48
4-methylpyridine	882.07
dibutyl ether	83.12
2,6-dimethyl-4-heptanol	53.66
DEF	629.65
dimethyl isosorbide	356.94
tetrachloroethylene	677.51
eugenol	195.12
triacetin	245.53
span 80	174.74
1,4-butanediol	236.53
1,1-dichloroethane	747.61
2-methyl-1-pentanol	287.41
methyl formate	830.88
2-methyl-1-butanol	391.34
n-decane	7.69
butyronitrile	449.55
3,7-dimethyl-1-octanol	89.79
1-chlorooctane	47.45
1-chlorotetradecane	18.39
n-nonane	6.96
undecane	5.72
tert-butylcyclohexane	21.55
cyclooctane	8.84
cyclopentanol	637.36
tetrahydropyran	698.74
tert-amyl methyl ether	312.21
2,5,8-trioxanonane	322.07
1-hexene	98.49
2-isopropoxyethanol	319.5
2,2,2-trifluoroethanol	680.18
methyl butyrate	332.65

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