Molecular formula
C11H11O4-

SMILES
C1=CC=C(C=C1)COC(=O)CCC(=O)[O-]

Fragrance
Sweet	52.65%
Fruity	48.27%
Caramellic	39.31%
Winey	38.95%
Honey	37.02%
Balsamic	36.1%
Fatty	33.97%
Odorless	29.48%
Buttery	28.85%
Sour	28.34%

 

Flavor
Fruity	67.39%
Sweet	58.32%
Grape	39.94%
Strawberry	34.46%
Balsam	31.49%
Floral	29.1%
Creamy	29.0%
Berry	28.2%
Musty	27.11%
Mild	27.05%

 

Odor impact est.
Low

XLogP3-AA
2.0

pKa est.
4.02 (weak acid)

Molecular weight
207.2 g/mol

Flash point

• 167.57 ˚C est.

4-Oxo-4-phenylmethoxybutanoate is primarily used as an intermediate in organic synthesis, serving as a building block for the preparation of pharmaceutical and other fine chemical intermediates. The benzyloxy (phenylmethoxy) functionality provides protecting-group capability for hydroxyls in multi-step synthetic sequences. Its ester moiety offers a versatile handle for esterification and transesterification reactions, supporting applications in polymer processing, coatings, and adhesive formulations. It is also viewed as a potential precursor in fragrance and flavor chemistry, where benzyloxy-substituted carbonyl structures can be elaborated into aroma-related derivatives. Use is subject to local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	156.41
methanol	293.04
isopropanol	75.05
water	2.13
ethyl acetate	187.07
n-propanol	77.0
acetone	123.61
n-butanol	56.94
acetonitrile	247.55
DMF	204.76
toluene	8.92
isobutanol	40.11
1,4-dioxane	255.11
methyl acetate	275.39
THF	160.48
2-butanone	171.48
n-pentanol	65.56
sec-butanol	80.22
n-hexane	0.41
ethylene glycol	44.16
NMP	67.16
cyclohexane	0.46
DMSO	303.25
n-butyl acetate	53.89
n-octanol	15.35
chloroform	60.1
n-propyl acetate	98.21
acetic acid	145.14
dichloromethane	115.18
cyclohexanone	57.56
propylene glycol	35.8
isopropyl acetate	81.82
DMAc	513.62
2-ethoxyethanol	366.13
isopentanol	53.09
n-heptane	0.5
ethyl formate	91.34
1,2-dichloroethane	87.23
n-hexanol	25.91
2-methoxyethanol	363.69
isobutyl acetate	42.57
tetrachloromethane	3.2
n-pentyl acetate	20.79
transcutol	607.86
n-heptanol	13.05
ethylbenzene	17.09
MIBK	47.95
2-propoxyethanol	121.46
tert-butanol	103.99
MTBE	87.74
2-butoxyethanol	57.28
propionic acid	79.52
o-xylene	13.97
formic acid	151.77
diethyl ether	86.21
m-xylene	7.73
p-xylene	19.52
chlorobenzene	16.77
dimethyl carbonate	88.07
n-octane	0.42
formamide	452.79
cyclopentanone	58.87
2-pentanone	71.61
anisole	117.13
cyclopentyl methyl ether	35.28
gamma-butyrolactone	122.86
1-methoxy-2-propanol	169.16
pyridine	100.57
3-pentanone	64.31
furfural	153.93
n-dodecane	0.7
diethylene glycol	150.27
diisopropyl ether	14.27
tert-amyl alcohol	111.33
acetylacetone	134.67
n-hexadecane	0.79
acetophenone	97.12
methyl propionate	137.19
isopentyl acetate	54.65
trichloroethylene	135.1
n-nonanol	15.75
cyclohexanol	22.27
benzyl alcohol	73.52
2-ethylhexanol	17.37
isooctanol	12.39
dipropyl ether	21.43
1,2-dichlorobenzene	23.31
ethyl lactate	48.66
propylene carbonate	69.12
n-methylformamide	181.22
2-pentanol	34.69
n-pentane	0.31
1-propoxy-2-propanol	65.75
1-methoxy-2-propyl acetate	95.23
2-(2-methoxypropoxy) propanol	113.72
mesitylene	5.48
ε-caprolactone	80.88
p-cymene	8.94
epichlorohydrin	235.92
1,1,1-trichloroethane	29.49
2-aminoethanol	87.16
morpholine-4-carbaldehyde	258.99
sulfolane	92.03
2,2,4-trimethylpentane	0.8
2-methyltetrahydrofuran	95.65
n-hexyl acetate	34.57
isooctane	0.45
2-(2-butoxyethoxy)ethanol	138.26
sec-butyl acetate	68.43
tert-butyl acetate	84.91
decalin	1.45
glycerin	64.83
diglyme	316.3
acrylic acid	68.11
isopropyl myristate	17.05
n-butyric acid	77.93
acetyl acetate	99.86
di(2-ethylhexyl) phthalate	20.92
ethyl propionate	89.75
nitromethane	477.88
1,2-diethoxyethane	129.63
benzonitrile	54.76
trioctyl phosphate	10.72
1-bromopropane	24.84
gamma-valerolactone	178.98
n-decanol	12.5
triethyl phosphate	36.73
4-methyl-2-pentanol	21.15
propionitrile	94.65
vinylene carbonate	71.9
1,1,2-trichlorotrifluoroethane	126.34
DMS	70.69
cumene	12.91
2-octanol	8.9
2-hexanone	76.97
octyl acetate	20.92
limonene	9.7
1,2-dimethoxyethane	460.02
ethyl orthosilicate	33.3
tributyl phosphate	18.61
diacetone alcohol	117.53
N,N-dimethylaniline	69.33
acrylonitrile	126.59
aniline	31.11
1,3-propanediol	113.04
bromobenzene	14.64
dibromomethane	43.81
1,1,2,2-tetrachloroethane	95.93
2-methyl-cyclohexyl acetate	41.26
tetrabutyl urea	28.29
diisobutyl methanol	13.02
2-phenylethanol	46.05
styrene	22.82
dioctyl adipate	36.41
dimethyl sulfate	114.24
ethyl butyrate	57.36
methyl lactate	65.14
butyl lactate	24.97
diethyl carbonate	51.28
propanediol butyl ether	54.69
triethyl orthoformate	40.71
p-tert-butyltoluene	7.8
methyl 4-tert-butylbenzoate	53.6
morpholine	259.48
tert-butylamine	33.52
n-dodecanol	9.69
dimethoxymethane	236.65
ethylene carbonate	56.92
cyrene	85.32
2-ethoxyethyl acetate	65.49
2-ethylhexyl acetate	38.74
1,2,4-trichlorobenzene	35.27
4-methylpyridine	75.39
dibutyl ether	25.88
2,6-dimethyl-4-heptanol	13.02
DEF	133.21
dimethyl isosorbide	157.94
tetrachloroethylene	49.63
eugenol	60.96
triacetin	76.41
span 80	51.58
1,4-butanediol	62.78
1,1-dichloroethane	40.67
2-methyl-1-pentanol	69.22
methyl formate	128.22
2-methyl-1-butanol	52.85
n-decane	0.99
butyronitrile	67.33
3,7-dimethyl-1-octanol	19.97
1-chlorooctane	5.93
1-chlorotetradecane	3.14
n-nonane	0.76
undecane	0.82
tert-butylcyclohexane	1.38
cyclooctane	0.25
cyclopentanol	22.02
tetrahydropyran	69.77
tert-amyl methyl ether	80.85
2,5,8-trioxanonane	247.13
1-hexene	5.53
2-isopropoxyethanol	190.62
2,2,2-trifluoroethanol	65.2
methyl butyrate	113.53

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