Molecular formula
C11H16O7-2

SMILES
CCCCCOC(=O)CC(CC(=O)[O-])(C(=O)[O-])O

Fragrance
Fruity	48.07%
Sweet	44.82%
Odorless	39.87%
Winey	35.29%
Buttery	33.18%
Fatty	31.93%
Caramellic	27.66%
Creamy	26.7%
Oily	26.48%
Milky	25.78%

 

Flavor
Odorless	48.54%
Fruity	35.35%
Mild	28.57%
Bland	26.12%
Very mild	25.73%
Sour	22.99%
Sweet-like	21.53%
Yeast	20.37%
Roquefort cheese	19.89%
Stinky	19.75%

 

Odor impact est.
Low

XLogP3-AA
1.4

pKa est.
1.08 (strong acid)

Molecular weight
260.24 g/mol

Flash point

• 177.19 ˚C est.

2-Hydroxy-2-(2-oxo-2-pentoxyethyl)butanedioate is a malonate-derived diester bearing a hydroxy group, often considered an intermediate or building block in organic synthesis and specialty chemicals. In industrial practice, it may serve as an intermediate for synthesizing functional compounds used in pharmaceuticals and high-value chemical products. It can act as a monomer or crosslinking agent in polymers and polyesters as well as in coating systems. It may be used as a plasticizer or resin modifier for coatings and inks. It may be a precursor for fragrance compounds or fragrance-related synthesis in the fragrance industry. It can be employed as an intermediate or functional ingredient in cosmetic and personal care formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	482.44
methanol	1112.08
isopropanol	224.93
water	2.96
ethyl acetate	92.7
n-propanol	241.35
acetone	390.13
n-butanol	154.7
acetonitrile	101.45
DMF	3568.94
toluene	14.89
isobutanol	121.73
1,4-dioxane	193.58
methyl acetate	134.03
THF	510.02
2-butanone	162.66
n-pentanol	97.99
sec-butanol	139.93
n-hexane	1.24
ethylene glycol	214.98
NMP	1610.35
cyclohexane	1.34
DMSO	3000.06
n-butyl acetate	37.69
n-octanol	19.67
chloroform	45.73
n-propyl acetate	52.81
acetic acid	476.82
dichloromethane	79.23
cyclohexanone	178.05
propylene glycol	236.16
isopropyl acetate	57.32
DMAc	1966.74
2-ethoxyethanol	484.92
isopentanol	111.9
n-heptane	0.65
ethyl formate	104.84
1,2-dichloroethane	93.38
n-hexanol	39.64
2-methoxyethanol	1090.67
isobutyl acetate	23.21
tetrachloromethane	4.71
n-pentyl acetate	23.27
transcutol	623.79
n-heptanol	17.81
ethylbenzene	14.31
MIBK	73.61
2-propoxyethanol	236.88
tert-butanol	275.78
MTBE	74.43
2-butoxyethanol	89.54
propionic acid	178.18
o-xylene	21.41
formic acid	648.26
diethyl ether	61.97
m-xylene	15.8
p-xylene	14.77
chlorobenzene	16.83
dimethyl carbonate	140.9
n-octane	0.42
formamide	1046.19
cyclopentanone	342.73
2-pentanone	134.66
anisole	91.15
cyclopentyl methyl ether	122.77
gamma-butyrolactone	487.69
1-methoxy-2-propanol	650.63
pyridine	124.15
3-pentanone	77.4
furfural	371.03
n-dodecane	0.47
diethylene glycol	294.78
diisopropyl ether	11.55
tert-amyl alcohol	185.86
acetylacetone	204.2
n-hexadecane	0.54
acetophenone	108.49
methyl propionate	155.54
isopentyl acetate	38.46
trichloroethylene	142.15
n-nonanol	18.86
cyclohexanol	69.98
benzyl alcohol	108.28
2-ethylhexanol	17.37
isooctanol	15.04
dipropyl ether	19.49
1,2-dichlorobenzene	25.66
ethyl lactate	74.96
propylene carbonate	168.68
n-methylformamide	1071.61
2-pentanol	68.0
n-pentane	1.32
1-propoxy-2-propanol	115.43
1-methoxy-2-propyl acetate	96.68
2-(2-methoxypropoxy) propanol	142.74
mesitylene	9.78
ε-caprolactone	185.27
p-cymene	7.88
epichlorohydrin	439.35
1,1,1-trichloroethane	30.25
2-aminoethanol	435.07
morpholine-4-carbaldehyde	1008.41
sulfolane	911.91
2,2,4-trimethylpentane	1.26
2-methyltetrahydrofuran	196.91
n-hexyl acetate	39.75
isooctane	0.79
2-(2-butoxyethoxy)ethanol	185.73
sec-butyl acetate	32.81
tert-butyl acetate	87.91
decalin	1.74
glycerin	380.94
diglyme	353.3
acrylic acid	214.72
isopropyl myristate	14.09
n-butyric acid	154.59
acetyl acetate	58.13
di(2-ethylhexyl) phthalate	28.06
ethyl propionate	57.64
nitromethane	875.85
1,2-diethoxyethane	70.93
benzonitrile	52.88
trioctyl phosphate	17.13
1-bromopropane	24.95
gamma-valerolactone	628.14
n-decanol	13.35
triethyl phosphate	30.12
4-methyl-2-pentanol	33.5
propionitrile	61.14
vinylene carbonate	146.37
1,1,2-trichlorotrifluoroethane	382.05
DMS	70.69
cumene	10.97
2-octanol	10.46
2-hexanone	66.03
octyl acetate	20.75
limonene	11.39
1,2-dimethoxyethane	517.5
ethyl orthosilicate	25.3
tributyl phosphate	23.73
diacetone alcohol	235.31
N,N-dimethylaniline	88.17
acrylonitrile	131.58
aniline	62.59
1,3-propanediol	409.0
bromobenzene	12.85
dibromomethane	36.9
1,1,2,2-tetrachloroethane	119.79
2-methyl-cyclohexyl acetate	38.53
tetrabutyl urea	46.86
diisobutyl methanol	11.74
2-phenylethanol	57.53
styrene	18.15
dioctyl adipate	35.08
dimethyl sulfate	401.32
ethyl butyrate	33.3
methyl lactate	202.56
butyl lactate	43.37
diethyl carbonate	26.25
propanediol butyl ether	116.91
triethyl orthoformate	29.69
p-tert-butyltoluene	7.98
methyl 4-tert-butylbenzoate	87.87
morpholine	407.5
tert-butylamine	74.49
n-dodecanol	9.16
dimethoxymethane	743.11
ethylene carbonate	103.85
cyrene	219.85
2-ethoxyethyl acetate	59.82
2-ethylhexyl acetate	25.14
1,2,4-trichlorobenzene	42.82
4-methylpyridine	149.49
dibutyl ether	14.99
2,6-dimethyl-4-heptanol	11.74
DEF	366.92
dimethyl isosorbide	248.84
tetrachloroethylene	61.58
eugenol	83.85
triacetin	86.33
span 80	92.15
1,4-butanediol	150.89
1,1-dichloroethane	40.09
2-methyl-1-pentanol	75.21
methyl formate	581.59
2-methyl-1-butanol	108.77
n-decane	0.8
butyronitrile	54.11
3,7-dimethyl-1-octanol	21.91
1-chlorooctane	5.2
1-chlorotetradecane	2.23
n-nonane	0.66
undecane	0.6
tert-butylcyclohexane	1.47
cyclooctane	0.66
cyclopentanol	119.0
tetrahydropyran	89.58
tert-amyl methyl ether	74.65
2,5,8-trioxanonane	278.53
1-hexene	7.96
2-isopropoxyethanol	208.43
2,2,2-trifluoroethanol	168.71
methyl butyrate	96.78

Scent© AI