Molecular formula
C13H15O4-

SMILES
CCCCCOC(=O)C1=CC=CC=C1C(=O)[O-]

Fragrance
Balsamic	49.31%
Floral	42.87%
Sweet	42.23%
Herbal	40.24%
Odorless	38.76%
Fruity	31.3%
Grape	26.89%
Winey	26.49%
Animal	24.57%
Aromatic	24.33%

 

Flavor
Herbal	31.66%
Odorless	28.37%
Bitter	26.73%
Balsam	26.23%
Faint	24.64%
Ethyl benzoate	21.77%
Fruity	21.72%
Lovage	21.2%
Valerian	21.01%
Wintergreen	20.62%

 

Odor impact est.
Low

XLogP3-AA
4.3

pKa est.
3.53 (weak acid)

Molecular weight
235.26 g/mol

Flash point

• 166.74 ˚C est.

• DB-221237

2-Pentoxycarbonylbenzoate is used as an intermediate in organic synthesis, supporting the production of pharmaceuticals and other high-value compounds; it can serve as a building block for fragrance and flavor chemistry in the cosmetics and flavor industries; in coatings, inks, and adhesives, it is used as a reactive ester to adjust resin properties and performance; in polymer chemistry, it may function as a monomer precursor or a crosslinking component for polyesters; and in specialty cleaning formulations it can act as a processing solvent or formulation aid in tailored solvent systems.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2489.76
methanol	3691.26
isopropanol	720.65
water	0.18
ethyl acetate	1120.89
n-propanol	1854.99
acetone	1136.18
n-butanol	1179.85
acetonitrile	1182.99
DMF	7388.46
toluene	1025.74
isobutanol	854.89
1,4-dioxane	580.51
methyl acetate	1294.07
THF	887.22
2-butanone	1921.51
n-pentanol	535.62
sec-butanol	1133.27
n-hexane	11.95
ethylene glycol	224.7
NMP	3357.75
cyclohexane	22.44
DMSO	2945.5
n-butyl acetate	510.42
n-octanol	69.24
chloroform	1396.46
n-propyl acetate	460.69
acetic acid	718.64
dichloromethane	2050.52
cyclohexanone	1378.61
propylene glycol	270.7
isopropyl acetate	542.97
DMAc	4453.58
2-ethoxyethanol	933.83
isopentanol	711.88
n-heptane	3.4
ethyl formate	389.04
1,2-dichloroethane	2344.27
n-hexanol	338.08
2-methoxyethanol	2279.5
isobutyl acetate	219.77
tetrachloromethane	81.94
n-pentyl acetate	220.43
transcutol	1573.65
n-heptanol	102.56
ethylbenzene	299.09
MIBK	506.34
2-propoxyethanol	803.21
tert-butanol	642.71
MTBE	681.66
2-butoxyethanol	317.01
propionic acid	720.64
o-xylene	417.29
formic acid	382.5
diethyl ether	863.11
m-xylene	395.18
p-xylene	252.59
chlorobenzene	838.26
dimethyl carbonate	516.7
n-octane	2.31
formamide	1377.91
cyclopentanone	1462.28
2-pentanone	1187.26
anisole	718.37
cyclopentyl methyl ether	785.87
gamma-butyrolactone	1419.6
1-methoxy-2-propanol	1343.39
pyridine	2024.16
3-pentanone	1104.82
furfural	1281.35
n-dodecane	2.68
diethylene glycol	502.01
diisopropyl ether	132.65
tert-amyl alcohol	971.9
acetylacetone	859.92
n-hexadecane	3.26
acetophenone	630.18
methyl propionate	1739.43
isopentyl acetate	467.24
trichloroethylene	3339.68
n-nonanol	70.53
cyclohexanol	655.27
benzyl alcohol	657.96
2-ethylhexanol	146.25
isooctanol	87.01
dipropyl ether	114.69
1,2-dichlorobenzene	612.34
ethyl lactate	198.28
propylene carbonate	562.36
n-methylformamide	2749.23
2-pentanol	582.96
n-pentane	17.1
1-propoxy-2-propanol	405.35
1-methoxy-2-propyl acetate	517.85
2-(2-methoxypropoxy) propanol	272.45
mesitylene	135.99
ε-caprolactone	1126.93
p-cymene	69.51
epichlorohydrin	2450.72
1,1,1-trichloroethane	869.8
2-aminoethanol	841.4
morpholine-4-carbaldehyde	1715.85
sulfolane	1702.01
2,2,4-trimethylpentane	15.0
2-methyltetrahydrofuran	989.22
n-hexyl acetate	266.25
isooctane	8.86
2-(2-butoxyethoxy)ethanol	413.34
sec-butyl acetate	331.81
tert-butyl acetate	562.59
decalin	20.74
glycerin	295.56
diglyme	810.35
acrylic acid	592.27
isopropyl myristate	78.51
n-butyric acid	845.06
acetyl acetate	385.15
di(2-ethylhexyl) phthalate	92.92
ethyl propionate	463.43
nitromethane	1797.47
1,2-diethoxyethane	424.87
benzonitrile	644.5
trioctyl phosphate	55.52
1-bromopropane	1031.79
gamma-valerolactone	1758.9
n-decanol	51.06
triethyl phosphate	104.58
4-methyl-2-pentanol	213.78
propionitrile	1155.08
vinylene carbonate	564.82
1,1,2-trichlorotrifluoroethane	1080.68
DMS	352.56
cumene	122.93
2-octanol	60.96
2-hexanone	514.08
octyl acetate	115.68
limonene	110.2
1,2-dimethoxyethane	952.51
ethyl orthosilicate	95.42
tributyl phosphate	81.92
diacetone alcohol	739.84
N,N-dimethylaniline	387.83
acrylonitrile	1817.91
aniline	1297.18
1,3-propanediol	906.86
bromobenzene	837.27
dibromomethane	1282.95
1,1,2,2-tetrachloroethane	2245.69
2-methyl-cyclohexyl acetate	185.86
tetrabutyl urea	124.36
diisobutyl methanol	72.46
2-phenylethanol	396.32
styrene	481.72
dioctyl adipate	132.55
dimethyl sulfate	803.25
ethyl butyrate	248.91
methyl lactate	467.88
butyl lactate	176.55
diethyl carbonate	152.15
propanediol butyl ether	230.07
triethyl orthoformate	130.11
p-tert-butyltoluene	66.52
methyl 4-tert-butylbenzoate	239.8
morpholine	1561.75
tert-butylamine	318.66
n-dodecanol	36.95
dimethoxymethane	1766.6
ethylene carbonate	432.12
cyrene	315.82
2-ethoxyethyl acetate	406.09
2-ethylhexyl acetate	306.56
1,2,4-trichlorobenzene	775.87
4-methylpyridine	2346.2
dibutyl ether	103.53
2,6-dimethyl-4-heptanol	72.46
DEF	2509.29
dimethyl isosorbide	474.4
tetrachloroethylene	1177.26
eugenol	257.02
triacetin	232.1
span 80	181.88
1,4-butanediol	231.21
1,1-dichloroethane	1408.04
2-methyl-1-pentanol	497.7
methyl formate	850.98
2-methyl-1-butanol	1058.88
n-decane	4.03
butyronitrile	784.48
3,7-dimethyl-1-octanol	106.65
1-chlorooctane	43.68
1-chlorotetradecane	17.16
n-nonane	3.33
undecane	3.22
tert-butylcyclohexane	16.12
cyclooctane	6.19
cyclopentanol	569.6
tetrahydropyran	813.59
tert-amyl methyl ether	760.44
2,5,8-trioxanonane	497.39
1-hexene	151.64
2-isopropoxyethanol	513.91
2,2,2-trifluoroethanol	206.51
methyl butyrate	626.44

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