Molecular formula
C9H16O4

SMILES
CCCCC(C(=O)OC)OC(=O)C

Fragrance
Fruity	93.74%
Winey	45.64%
Caramellic	45.12%
Buttery	41.68%
Pineapple	35.24%
Tropical	34.17%
Sweet	33.66%
Creamy	32.51%
Apple	32.29%
Fatty	31.07%

 

Flavor
Fruity	86.85%
Sweet	43.06%
Tropical	42.13%
Creamy	40.03%
Berry	39.67%
Green	35.26%
Grape	32.9%
Fruit	32.69%
Fatty	31.19%
Pineapple	31.05%

 

Odor impact est.
Medium

XLogP3-AA
1.9

pKa est.
7.22 (neutral)

Molecular weight
188.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
216°C

Flash point

• 86.76 ˚C est.

• methyl 2-(acetyloxy)hexanoate
• AKOS006274503

Methyl 2-(acetyloxy)hexanoate is an ester commonly considered as an intermediate in fragrance chemistry and as a precursor for related aroma compounds. In perfumery, it may serve as an aroma ingredient or synthetic building block for fruity notes. In cosmetics and personal care, it can be used as a fragrance component in lotions, creams, and other formulations. In household products, it may function as a fragrance additive in cleaners and air fresheners. In industrial manufacturing, it is used as an intermediate in the synthesis of other esters and fragrance chemicals and can participate in specialty polymer or plastic formulations. Depending on local regulations, it may also be evaluated for flavor or aroma applications in controlled systems.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1409.11
methanol	2482.34
isopropanol	1005.36
water	5.61
ethyl acetate	476.59
n-propanol	949.6
acetone	1000.74
n-butanol	761.1
acetonitrile	698.81
DMF	1602.06
toluene	332.19
isobutanol	641.99
1,4-dioxane	1251.56
methyl acetate	547.65
THF	1108.55
2-butanone	587.62
n-pentanol	546.98
sec-butanol	822.21
n-hexane	26.25
ethylene glycol	356.61
NMP	1262.81
cyclohexane	89.87
DMSO	1511.48
n-butyl acetate	368.37
n-octanol	140.94
chloroform	1403.22
n-propyl acetate	292.86
acetic acid	1713.03
dichloromethane	1376.36
cyclohexanone	943.2
propylene glycol	336.94
isopropyl acetate	296.19
DMAc	1186.01
2-ethoxyethanol	770.56
isopentanol	571.03
n-heptane	12.4
ethyl formate	623.03
1,2-dichloroethane	875.21
n-hexanol	339.02
2-methoxyethanol	1419.1
isobutyl acetate	194.28
tetrachloromethane	167.39
n-pentyl acetate	206.68
transcutol	1022.8
n-heptanol	138.2
ethylbenzene	179.1
MIBK	252.89
2-propoxyethanol	555.66
tert-butanol	1062.12
MTBE	530.78
2-butoxyethanol	299.53
propionic acid	661.09
o-xylene	238.84
formic acid	850.69
diethyl ether	405.03
m-xylene	200.78
p-xylene	269.74
chlorobenzene	478.53
dimethyl carbonate	174.48
n-octane	8.65
formamide	1025.67
cyclopentanone	909.31
2-pentanone	429.19
anisole	357.04
cyclopentyl methyl ether	434.8
gamma-butyrolactone	1090.3
1-methoxy-2-propanol	703.56
pyridine	1005.81
3-pentanone	283.14
furfural	1132.46
n-dodecane	9.69
diethylene glycol	539.97
diisopropyl ether	90.57
tert-amyl alcohol	829.78
acetylacetone	499.9
n-hexadecane	11.16
acetophenone	365.16
methyl propionate	352.92
isopentyl acetate	336.47
trichloroethylene	1489.62
n-nonanol	118.52
cyclohexanol	743.73
benzyl alcohol	443.26
2-ethylhexanol	179.66
isooctanol	111.05
dipropyl ether	114.78
1,2-dichlorobenzene	392.85
ethyl lactate	158.15
propylene carbonate	597.2
n-methylformamide	963.74
2-pentanol	402.39
n-pentane	30.85
1-propoxy-2-propanol	308.03
1-methoxy-2-propyl acetate	269.85
2-(2-methoxypropoxy) propanol	254.6
mesitylene	118.23
ε-caprolactone	771.35
p-cymene	94.91
epichlorohydrin	1124.48
1,1,1-trichloroethane	636.41
2-aminoethanol	654.38
morpholine-4-carbaldehyde	1051.99
sulfolane	1157.47
2,2,4-trimethylpentane	25.47
2-methyltetrahydrofuran	865.34
n-hexyl acetate	280.93
isooctane	14.26
2-(2-butoxyethoxy)ethanol	369.17
sec-butyl acetate	196.77
tert-butyl acetate	290.97
decalin	43.43
glycerin	427.67
diglyme	678.47
acrylic acid	607.4
isopropyl myristate	93.94
n-butyric acid	842.98
acetyl acetate	351.04
di(2-ethylhexyl) phthalate	124.52
ethyl propionate	233.32
nitromethane	1611.18
1,2-diethoxyethane	318.29
benzonitrile	493.11
trioctyl phosphate	85.53
1-bromopropane	420.84
gamma-valerolactone	1213.09
n-decanol	84.63
triethyl phosphate	118.99
4-methyl-2-pentanol	181.81
propionitrile	530.76
vinylene carbonate	615.48
1,1,2-trichlorotrifluoroethane	877.22
DMS	234.25
cumene	115.7
2-octanol	103.97
2-hexanone	293.31
octyl acetate	131.13
limonene	143.94
1,2-dimethoxyethane	1059.47
ethyl orthosilicate	110.91
tributyl phosphate	110.58
diacetone alcohol	376.5
N,N-dimethylaniline	245.49
acrylonitrile	699.01
aniline	503.05
1,3-propanediol	828.52
bromobenzene	461.03
dibromomethane	839.3
1,1,2,2-tetrachloroethane	1197.68
2-methyl-cyclohexyl acetate	198.77
tetrabutyl urea	145.64
diisobutyl methanol	100.72
2-phenylethanol	308.2
styrene	242.44
dioctyl adipate	159.75
dimethyl sulfate	306.53
ethyl butyrate	210.05
methyl lactate	221.79
butyl lactate	171.06
diethyl carbonate	161.55
propanediol butyl ether	270.96
triethyl orthoformate	148.74
p-tert-butyltoluene	87.66
methyl 4-tert-butylbenzoate	228.45
morpholine	1530.58
tert-butylamine	577.67
n-dodecanol	63.72
dimethoxymethane	578.0
ethylene carbonate	527.3
cyrene	306.4
2-ethoxyethyl acetate	272.09
2-ethylhexyl acetate	249.26
1,2,4-trichlorobenzene	457.96
4-methylpyridine	996.06
dibutyl ether	134.01
2,6-dimethyl-4-heptanol	100.72
DEF	622.65
dimethyl isosorbide	415.89
tetrachloroethylene	820.97
eugenol	262.33
triacetin	241.16
span 80	236.28
1,4-butanediol	365.38
1,1-dichloroethane	787.31
2-methyl-1-pentanol	452.52
methyl formate	719.71
2-methyl-1-butanol	596.75
n-decane	15.11
butyronitrile	588.9
3,7-dimethyl-1-octanol	146.03
1-chlorooctane	79.88
1-chlorotetradecane	32.07
n-nonane	13.88
undecane	11.66
tert-butylcyclohexane	32.51
cyclooctane	17.8
cyclopentanol	755.58
tetrahydropyran	1014.67
tert-amyl methyl ether	364.0
2,5,8-trioxanonane	444.88
1-hexene	141.97
2-isopropoxyethanol	428.63
2,2,2-trifluoroethanol	417.07
methyl butyrate	395.48

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