Molecular formula
C9H15O4-

SMILES
CC(C)OC(=O)CCCCC(=O)[O-]

Fragrance
Fruity	66.35%
Fatty	37.98%
Buttery	37.44%
Sour	33.21%
Winey	31.27%
Creamy	28.89%
Odorless	28.64%
Cheesy	27.76%
Milky	26.37%
Caramellic	25.98%

 

Flavor
Fruity	76.35%
Cheese	35.18%
Berry	33.48%
Pineapple	31.38%
Grape	29.2%
Sweet	28.1%
Tropical	27.96%
Odorless	27.71%
Sour	27.14%
Animal	25.17%

 

Odor impact est.
Low

XLogP3-AA
1.7

pKa est.
5.2 (weak acid)

Molecular weight
187.21 g/mol

Flash point

• 126.08 ˚C est.

It is typically used as an organic synthesis intermediate; it may function as a plasticizer or processing aid in polymers/plastics; it may serve as a solvent or plasticizer in coatings and inks; it may be evaluated for fragrance or cosmetic applications as a fragrance intermediate or solvent; it can serve as a precursor for more complex ester derivatives in industrial manufacturing.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	401.77
methanol	631.71
isopropanol	331.56
water	4.83
ethyl acetate	133.85
n-propanol	272.15
acetone	434.41
n-butanol	229.19
acetonitrile	233.76
DMF	904.4
toluene	52.11
isobutanol	189.36
1,4-dioxane	360.84
methyl acetate	159.34
THF	439.47
2-butanone	213.01
n-pentanol	191.73
sec-butanol	239.66
n-hexane	16.57
ethylene glycol	120.96
NMP	493.73
cyclohexane	15.71
DMSO	803.21
n-butyl acetate	85.07
n-octanol	81.84
chloroform	331.28
n-propyl acetate	85.17
acetic acid	553.64
dichloromethane	299.9
cyclohexanone	253.96
propylene glycol	169.76
isopropyl acetate	90.37
DMAc	702.48
2-ethoxyethanol	300.47
isopentanol	176.31
n-heptane	5.32
ethyl formate	152.02
1,2-dichloroethane	200.29
n-hexanol	140.27
2-methoxyethanol	522.86
isobutyl acetate	60.29
tetrachloromethane	27.11
n-pentyl acetate	70.27
transcutol	442.04
n-heptanol	58.27
ethylbenzene	43.27
MIBK	111.91
2-propoxyethanol	259.87
tert-butanol	398.52
MTBE	158.21
2-butoxyethanol	116.0
propionic acid	235.96
o-xylene	47.81
formic acid	225.56
diethyl ether	132.67
m-xylene	42.15
p-xylene	56.21
chlorobenzene	93.93
dimethyl carbonate	60.33
n-octane	4.51
formamide	225.39
cyclopentanone	289.31
2-pentanone	162.38
anisole	116.35
cyclopentyl methyl ether	124.84
gamma-butyrolactone	325.67
1-methoxy-2-propanol	338.78
pyridine	189.13
3-pentanone	105.23
furfural	333.91
n-dodecane	6.1
diethylene glycol	243.05
diisopropyl ether	31.58
tert-amyl alcohol	264.06
acetylacetone	215.38
n-hexadecane	6.73
acetophenone	117.98
methyl propionate	121.8
isopentyl acetate	84.04
trichloroethylene	319.32
n-nonanol	70.89
cyclohexanol	177.4
benzyl alcohol	136.02
2-ethylhexanol	61.38
isooctanol	45.03
dipropyl ether	45.95
1,2-dichlorobenzene	93.58
ethyl lactate	80.28
propylene carbonate	181.12
n-methylformamide	343.51
2-pentanol	135.82
n-pentane	12.98
1-propoxy-2-propanol	147.34
1-methoxy-2-propyl acetate	113.52
2-(2-methoxypropoxy) propanol	156.92
mesitylene	30.86
ε-caprolactone	212.0
p-cymene	26.25
epichlorohydrin	325.75
1,1,1-trichloroethane	133.9
2-aminoethanol	213.28
morpholine-4-carbaldehyde	455.94
sulfolane	468.24
2,2,4-trimethylpentane	9.73
2-methyltetrahydrofuran	235.03
n-hexyl acetate	117.4
isooctane	6.34
2-(2-butoxyethoxy)ethanol	198.36
sec-butyl acetate	60.95
tert-butyl acetate	115.11
decalin	13.11
glycerin	233.03
diglyme	273.06
acrylic acid	212.08
isopropyl myristate	49.08
n-butyric acid	233.85
acetyl acetate	100.5
di(2-ethylhexyl) phthalate	64.91
ethyl propionate	84.57
nitromethane	599.53
1,2-diethoxyethane	112.45
benzonitrile	137.43
trioctyl phosphate	45.89
1-bromopropane	120.95
gamma-valerolactone	430.22
n-decanol	53.57
triethyl phosphate	48.16
4-methyl-2-pentanol	77.05
propionitrile	155.71
vinylene carbonate	169.31
1,1,2-trichlorotrifluoroethane	293.93
DMS	90.72
cumene	34.06
2-octanol	49.06
2-hexanone	129.5
octyl acetate	66.06
limonene	37.26
1,2-dimethoxyethane	423.82
ethyl orthosilicate	44.68
tributyl phosphate	57.04
diacetone alcohol	204.13
N,N-dimethylaniline	92.9
acrylonitrile	200.39
aniline	98.42
1,3-propanediol	281.5
bromobenzene	80.99
dibromomethane	198.87
1,1,2,2-tetrachloroethane	282.2
2-methyl-cyclohexyl acetate	71.12
tetrabutyl urea	81.93
diisobutyl methanol	38.86
2-phenylethanol	102.4
styrene	54.23
dioctyl adipate	77.83
dimethyl sulfate	144.38
ethyl butyrate	64.1
methyl lactate	115.21
butyl lactate	81.58
diethyl carbonate	48.95
propanediol butyl ether	163.59
triethyl orthoformate	52.54
p-tert-butyltoluene	27.63
methyl 4-tert-butylbenzoate	110.11
morpholine	433.8
tert-butylamine	187.15
n-dodecanol	41.85
dimethoxymethane	285.86
ethylene carbonate	130.74
cyrene	168.07
2-ethoxyethyl acetate	96.54
2-ethylhexyl acetate	61.46
1,2,4-trichlorobenzene	110.02
4-methylpyridine	208.77
dibutyl ether	62.16
2,6-dimethyl-4-heptanol	38.86
DEF	225.46
dimethyl isosorbide	211.86
tetrachloroethylene	151.61
eugenol	120.98
triacetin	124.07
span 80	136.95
1,4-butanediol	142.35
1,1-dichloroethane	179.3
2-methyl-1-pentanol	148.06
methyl formate	248.08
2-methyl-1-butanol	166.05
n-decane	9.09
butyronitrile	170.77
3,7-dimethyl-1-octanol	75.45
1-chlorooctane	36.95
1-chlorotetradecane	17.98
n-nonane	8.11
undecane	7.3
tert-butylcyclohexane	12.75
cyclooctane	4.73
cyclopentanol	210.32
tetrahydropyran	245.21
tert-amyl methyl ether	121.05
2,5,8-trioxanonane	229.34
1-hexene	64.51
2-isopropoxyethanol	182.61
2,2,2-trifluoroethanol	147.04
methyl butyrate	124.39

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