Molecular formula
C12H14O4

SMILES
CCCC(=O)OC1=CC=C(C=C1)C(=O)OC

Fragrance
Fruity	64.83%
Phenolic	40.22%
Floral	39.37%
Animal	37.39%
Grape	32.91%
Caramellic	29.14%
Burnt	28.52%
Odorless	28.52%
Aromatic	28.29%
Sweet	27.72%

 

Flavor
Fruity	60.49%
Sweet	50.83%
Floral	37.44%
Grape	36.71%
Balsam	34.85%
Strawberry	31.27%
Wintergreen	30.48%
Powdery	28.98%
Herbal	28.0%
Berry	27.78%

 

Odor impact est.
Medium

XLogP3-AA
2.5

pKa est.
7.16 (neutral)

Molecular weight
222.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
296°C

Flash point

• 135.14 ˚C est.

• NSC39441
• methyl 4-(butanoyloxy)benzoate
• HMS1595J21
• NSC-39441
• STL479159
• AKOS002247679
• SR-01000279872
• SR-01000279872-1

Methyl 4-(butanoyloxy)benzoate is typically used as an aromatic ester intermediate in fragrance chemistry, often serving as a fragrance ingredient or odorant in perfumery and in cosmetic formulations. In cosmetics and personal care, it may be included as a fragrance component or solvent in formulations. In coatings and inks, it can function as a processing solvent or additive to adjust evaporation and material compatibility. In polymers and plastics, it serves as a chemical precursor for the synthesis of specialty esters and functionalized polymers. In industrial manufacturing, it is used as an intermediate for diverse organic syntheses and for the preparation of fragrance-related intermediates, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	198.37
methanol	298.2
isopropanol	145.86
water	0.27
ethyl acetate	382.31
n-propanol	129.68
acetone	661.15
n-butanol	136.57
acetonitrile	398.18
DMF	863.11
toluene	116.43
isobutanol	99.81
1,4-dioxane	465.22
methyl acetate	331.78
THF	563.08
2-butanone	333.98
n-pentanol	147.08
sec-butanol	133.59
n-hexane	6.52
ethylene glycol	47.49
NMP	602.76
cyclohexane	6.5
DMSO	939.14
n-butyl acetate	232.3
n-octanol	61.61
chloroform	677.41
n-propyl acetate	249.23
acetic acid	571.24
dichloromethane	879.92
cyclohexanone	415.96
propylene glycol	64.46
isopropyl acetate	200.59
DMAc	600.53
2-ethoxyethanol	332.61
isopentanol	129.04
n-heptane	3.49
ethyl formate	225.84
1,2-dichloroethane	556.51
n-hexanol	90.33
2-methoxyethanol	470.29
isobutyl acetate	132.47
tetrachloromethane	31.17
n-pentyl acetate	127.32
transcutol	837.84
n-heptanol	51.24
ethylbenzene	77.83
MIBK	181.1
2-propoxyethanol	240.6
tert-butanol	260.73
MTBE	175.34
2-butoxyethanol	135.06
propionic acid	209.34
o-xylene	76.94
formic acid	194.62
diethyl ether	195.47
m-xylene	82.93
p-xylene	102.93
chlorobenzene	229.85
dimethyl carbonate	183.78
n-octane	3.31
formamide	412.03
cyclopentanone	532.44
2-pentanone	309.37
anisole	216.45
cyclopentyl methyl ether	195.98
gamma-butyrolactone	686.88
1-methoxy-2-propanol	327.38
pyridine	385.63
3-pentanone	201.0
furfural	601.08
n-dodecane	4.69
diethylene glycol	234.38
diisopropyl ether	46.63
tert-amyl alcohol	198.78
acetylacetone	475.5
n-hexadecane	5.56
acetophenone	238.73
methyl propionate	292.79
isopentyl acetate	174.04
trichloroethylene	1075.44
n-nonanol	59.35
cyclohexanol	128.79
benzyl alcohol	197.25
2-ethylhexanol	60.79
isooctanol	47.26
dipropyl ether	74.42
1,2-dichlorobenzene	205.36
ethyl lactate	132.42
propylene carbonate	348.92
n-methylformamide	394.89
2-pentanol	98.54
n-pentane	3.97
1-propoxy-2-propanol	165.13
1-methoxy-2-propyl acetate	213.47
2-(2-methoxypropoxy) propanol	183.48
mesitylene	47.68
ε-caprolactone	355.31
p-cymene	39.1
epichlorohydrin	755.21
1,1,1-trichloroethane	274.74
2-aminoethanol	102.4
morpholine-4-carbaldehyde	600.9
sulfolane	765.24
2,2,4-trimethylpentane	6.34
2-methyltetrahydrofuran	315.03
n-hexyl acetate	185.18
isooctane	4.32
2-(2-butoxyethoxy)ethanol	237.18
sec-butyl acetate	144.46
tert-butyl acetate	215.78
decalin	10.4
glycerin	129.44
diglyme	435.02
acrylic acid	256.12
isopropyl myristate	68.41
n-butyric acid	277.45
acetyl acetate	264.58
di(2-ethylhexyl) phthalate	74.79
ethyl propionate	206.67
nitromethane	1112.2
1,2-diethoxyethane	235.04
benzonitrile	240.02
trioctyl phosphate	50.42
1-bromopropane	180.14
gamma-valerolactone	689.83
n-decanol	47.21
triethyl phosphate	81.01
4-methyl-2-pentanol	64.94
propionitrile	221.73
vinylene carbonate	357.04
1,1,2-trichlorotrifluoroethane	422.77
DMS	216.36
cumene	52.71
2-octanol	44.25
2-hexanone	221.75
octyl acetate	92.35
limonene	49.93
1,2-dimethoxyethane	511.44
ethyl orthosilicate	70.98
tributyl phosphate	74.96
diacetone alcohol	263.43
N,N-dimethylaniline	138.17
acrylonitrile	364.33
aniline	180.96
1,3-propanediol	176.34
bromobenzene	231.72
dibromomethane	453.97
1,1,2,2-tetrachloroethane	680.71
2-methyl-cyclohexyl acetate	117.35
tetrabutyl urea	96.82
diisobutyl methanol	44.03
2-phenylethanol	137.31
styrene	111.19
dioctyl adipate	110.66
dimethyl sulfate	295.61
ethyl butyrate	152.63
methyl lactate	166.86
butyl lactate	115.34
diethyl carbonate	121.23
propanediol butyl ether	154.91
triethyl orthoformate	101.9
p-tert-butyltoluene	38.8
methyl 4-tert-butylbenzoate	164.46
morpholine	462.11
tert-butylamine	111.02
n-dodecanol	37.55
dimethoxymethane	472.65
ethylene carbonate	271.69
cyrene	194.37
2-ethoxyethyl acetate	208.4
2-ethylhexyl acetate	127.56
1,2,4-trichlorobenzene	238.97
4-methylpyridine	399.55
dibutyl ether	88.53
2,6-dimethyl-4-heptanol	44.03
DEF	336.03
dimethyl isosorbide	272.08
tetrachloroethylene	361.1
eugenol	167.62
triacetin	215.79
span 80	138.6
1,4-butanediol	91.13
1,1-dichloroethane	403.84
2-methyl-1-pentanol	134.01
methyl formate	346.28
2-methyl-1-butanol	118.8
n-decane	6.91
butyronitrile	209.92
3,7-dimethyl-1-octanol	66.22
1-chlorooctane	42.41
1-chlorotetradecane	20.13
n-nonane	5.91
undecane	5.58
tert-butylcyclohexane	9.91
cyclooctane	2.57
cyclopentanol	135.16
tetrahydropyran	270.46
tert-amyl methyl ether	139.77
2,5,8-trioxanonane	306.81
1-hexene	45.3
2-isopropoxyethanol	202.22
2,2,2-trifluoroethanol	179.13
methyl butyrate	272.17

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