Molecular formula
C9H16O4

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

Fragrance
Fruity	88.38%
Buttery	36.89%
Caramellic	30.38%
Tropical	28.4%
Creamy	28.21%
Berry	27.27%
Winey	25.17%
Milky	22.67%
Apple	22.13%
Sour	22.13%

 

Flavor
Fruity	86.39%
Berry	36.76%
Creamy	35.61%
Tropical	33.08%
Sweet	31.99%
Grape	28.06%
Buttery	26.12%
Fruit	24.97%
Cheese	24.97%
Green	24.04%

 

Odor impact est.
High

XLogP3-AA
1.8

pKa est.
7.14 (neutral)

Molecular weight
188.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
207°C

Flash point

• 90.56 ˚C est.

Methyl 2-acetoxy-3-methylvalerate is used primarily as an intermediate in fragrance and flavor chemistry. It can function as an odorant or fragrance ingredient in perfumery and cosmetics, and serves as a building block for synthesizing other ester-based aroma compounds. It is sometimes used as a processing aid or light solvent in cosmetic and household formulations. In industrial manufacturing, it acts as a precursor for more complex fragrance-related chemicals and as a specialty ester for coatings, inks, and adhesives. It may also be employed as a precursor in polymer chemistry or as a plasticizer in certain formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	467.68
methanol	621.25
isopropanol	433.73
water	4.68
ethyl acetate	104.24
n-propanol	374.78
acetone	273.0
n-butanol	309.41
acetonitrile	164.44
DMF	580.18
toluene	122.38
isobutanol	282.95
1,4-dioxane	488.94
methyl acetate	173.89
THF	419.26
2-butanone	220.71
n-pentanol	263.74
sec-butanol	389.62
n-hexane	9.34
ethylene glycol	170.06
NMP	410.97
cyclohexane	31.08
DMSO	461.69
n-butyl acetate	109.47
n-octanol	112.17
chloroform	618.94
n-propyl acetate	79.52
acetic acid	305.88
dichloromethane	603.59
cyclohexanone	338.03
propylene glycol	194.7
isopropyl acetate	70.61
DMAc	447.1
2-ethoxyethanol	323.26
isopentanol	221.46
n-heptane	6.68
ethyl formate	199.68
1,2-dichloroethane	338.95
n-hexanol	197.96
2-methoxyethanol	501.87
isobutyl acetate	59.51
tetrachloromethane	75.35
n-pentyl acetate	87.93
transcutol	245.79
n-heptanol	108.75
ethylbenzene	92.93
MIBK	83.5
2-propoxyethanol	272.83
tert-butanol	406.42
MTBE	162.19
2-butoxyethanol	167.14
propionic acid	202.98
o-xylene	116.62
formic acid	162.63
diethyl ether	105.17
m-xylene	83.13
p-xylene	131.88
chlorobenzene	180.88
dimethyl carbonate	51.63
n-octane	7.14
formamide	190.23
cyclopentanone	338.92
2-pentanone	125.43
anisole	160.29
cyclopentyl methyl ether	134.05
gamma-butyrolactone	351.76
1-methoxy-2-propanol	301.9
pyridine	372.31
3-pentanone	93.35
furfural	448.8
n-dodecane	9.5
diethylene glycol	246.74
diisopropyl ether	28.38
tert-amyl alcohol	332.19
acetylacetone	140.4
n-hexadecane	10.74
acetophenone	167.55
methyl propionate	102.76
isopentyl acetate	110.43
trichloroethylene	561.14
n-nonanol	95.58
cyclohexanol	300.82
benzyl alcohol	226.37
2-ethylhexanol	99.65
isooctanol	84.84
dipropyl ether	42.34
1,2-dichlorobenzene	170.37
ethyl lactate	81.38
propylene carbonate	216.42
n-methylformamide	273.61
2-pentanol	166.1
n-pentane	12.06
1-propoxy-2-propanol	147.79
1-methoxy-2-propyl acetate	99.41
2-(2-methoxypropoxy) propanol	137.61
mesitylene	54.44
ε-caprolactone	268.55
p-cymene	59.6
epichlorohydrin	443.0
1,1,1-trichloroethane	243.08
2-aminoethanol	275.27
morpholine-4-carbaldehyde	408.29
sulfolane	434.53
2,2,4-trimethylpentane	13.28
2-methyltetrahydrofuran	290.83
n-hexyl acetate	129.93
isooctane	7.38
2-(2-butoxyethoxy)ethanol	168.06
sec-butyl acetate	56.43
tert-butyl acetate	81.63
decalin	21.67
glycerin	231.73
diglyme	272.03
acrylic acid	192.12
isopropyl myristate	52.87
n-butyric acid	218.65
acetyl acetate	76.48
di(2-ethylhexyl) phthalate	76.07
ethyl propionate	67.32
nitromethane	294.48
1,2-diethoxyethane	105.7
benzonitrile	223.47
trioctyl phosphate	58.84
1-bromopropane	183.91
gamma-valerolactone	469.21
n-decanol	72.67
triethyl phosphate	60.91
4-methyl-2-pentanol	85.61
propionitrile	163.3
vinylene carbonate	233.8
1,1,2-trichlorotrifluoroethane	329.47
DMS	91.82
cumene	71.12
2-octanol	86.3
2-hexanone	110.82
octyl acetate	76.55
limonene	79.51
1,2-dimethoxyethane	394.49
ethyl orthosilicate	53.96
tributyl phosphate	58.67
diacetone alcohol	153.88
N,N-dimethylaniline	126.97
acrylonitrile	221.6
aniline	191.08
1,3-propanediol	344.37
bromobenzene	169.82
dibromomethane	391.54
1,1,2,2-tetrachloroethane	495.69
2-methyl-cyclohexyl acetate	95.76
tetrabutyl urea	81.83
diisobutyl methanol	53.19
2-phenylethanol	170.36
styrene	103.98
dioctyl adipate	85.8
dimethyl sulfate	101.13
ethyl butyrate	72.42
methyl lactate	97.16
butyl lactate	87.49
diethyl carbonate	64.46
propanediol butyl ether	159.46
triethyl orthoformate	60.92
p-tert-butyltoluene	55.33
methyl 4-tert-butylbenzoate	139.39
morpholine	486.12
tert-butylamine	207.16
n-dodecanol	57.53
dimethoxymethane	206.73
ethylene carbonate	184.36
cyrene	172.89
2-ethoxyethyl acetate	106.96
2-ethylhexyl acetate	87.95
1,2,4-trichlorobenzene	211.14
4-methylpyridine	324.9
dibutyl ether	59.43
2,6-dimethyl-4-heptanol	53.19
DEF	176.82
dimethyl isosorbide	195.54
tetrachloroethylene	298.92
eugenol	153.46
triacetin	107.29
span 80	135.28
1,4-butanediol	208.65
1,1-dichloroethane	297.8
2-methyl-1-pentanol	213.7
methyl formate	237.41
2-methyl-1-butanol	242.74
n-decane	13.5
butyronitrile	193.72
3,7-dimethyl-1-octanol	96.66
1-chlorooctane	58.34
1-chlorotetradecane	28.11
n-nonane	11.73
undecane	11.2
tert-butylcyclohexane	18.4
cyclooctane	7.85
cyclopentanol	334.91
tetrahydropyran	326.16
tert-amyl methyl ether	124.64
2,5,8-trioxanonane	204.76
1-hexene	48.7
2-isopropoxyethanol	195.65
2,2,2-trifluoroethanol	106.5
methyl butyrate	121.64

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