Molecular formula
C11H14O2

SMILES
CCC(=O)OCC1=CC=CC(=C1)C

Fragrance
Fruity	96.54%
Sweet	77.91%
Floral	75.21%
Cherry	47.3%
Tropical	42.49%
Berry	40.37%
Plum	39.1%
Apricot	38.17%
Pineapple	37.34%
Jasmin	36.82%

 

Flavor
Fruity	85.02%
Sweet	70.45%
Floral	65.44%
Balsam	51.62%
Cherry	40.62%
Jasmin	40.36%
Berry	38.44%
Plum	37.98%
Herbal	35.64%
Spicy	35.51%

 

Odor impact est.
Medium

XLogP3-AA
2.4

pKa est.
7.74 (neutral)

Molecular weight
178.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
248°C

Flash point

• 107.97 ˚C est.

• SCHEMBL11703597

Primarily used as an odorant and fragrance ingredient in perfumery, (3-Methylphenyl)methyl propanoate is commonly evaluated for cosmetics and personal care formulations as a fragrance component. It can also function as a scent additive in household products, such as cleaners and air fresheners. In industrial manufacturing, it is often employed as an intermediate in the synthesis of fragrance compounds and aroma chemicals, providing a versatile benzyl-type aromatic building block for downstream derivatives. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	794.78
methanol	1247.15
isopropanol	422.14
water	1.34
ethyl acetate	798.32
n-propanol	514.95
acetone	644.09
n-butanol	540.78
acetonitrile	742.18
DMF	1167.49
toluene	357.45
isobutanol	352.98
1,4-dioxane	1330.14
methyl acetate	608.49
THF	775.45
2-butanone	579.45
n-pentanol	450.07
sec-butanol	375.03
n-hexane	63.97
ethylene glycol	154.54
NMP	576.06
cyclohexane	53.32
DMSO	815.74
n-butyl acetate	674.8
n-octanol	127.85
chloroform	2003.52
n-propyl acetate	514.15
acetic acid	846.11
dichloromethane	1780.7
cyclohexanone	655.1
propylene glycol	175.29
isopropyl acetate	464.35
DMAc	1129.91
2-ethoxyethanol	827.37
isopentanol	556.98
n-heptane	18.47
ethyl formate	424.06
1,2-dichloroethane	1179.78
n-hexanol	421.45
2-methoxyethanol	1002.71
isobutyl acetate	337.59
tetrachloromethane	178.35
n-pentyl acetate	226.64
transcutol	2717.96
n-heptanol	141.61
ethylbenzene	237.3
MIBK	356.94
2-propoxyethanol	740.31
tert-butanol	667.7
MTBE	721.72
2-butoxyethanol	332.88
propionic acid	409.87
o-xylene	212.12
formic acid	383.73
diethyl ether	778.61
m-xylene	222.57
p-xylene	263.23
chlorobenzene	505.72
dimethyl carbonate	255.6
n-octane	8.51
formamide	570.02
cyclopentanone	538.35
2-pentanone	522.82
anisole	607.77
cyclopentyl methyl ether	393.18
gamma-butyrolactone	626.21
1-methoxy-2-propanol	612.67
pyridine	802.86
3-pentanone	429.95
furfural	822.99
n-dodecane	7.69
diethylene glycol	530.03
diisopropyl ether	175.43
tert-amyl alcohol	548.32
acetylacetone	609.31
n-hexadecane	9.08
acetophenone	470.2
methyl propionate	479.2
isopentyl acetate	580.02
trichloroethylene	2114.96
n-nonanol	116.64
cyclohexanol	321.58
benzyl alcohol	416.86
2-ethylhexanol	241.1
isooctanol	121.91
dipropyl ether	255.04
1,2-dichlorobenzene	477.15
ethyl lactate	186.79
propylene carbonate	465.71
n-methylformamide	510.7
2-pentanol	310.92
n-pentane	36.24
1-propoxy-2-propanol	445.93
1-methoxy-2-propyl acetate	539.31
2-(2-methoxypropoxy) propanol	400.62
mesitylene	128.42
ε-caprolactone	615.71
p-cymene	103.24
epichlorohydrin	1164.25
1,1,1-trichloroethane	813.88
2-aminoethanol	338.94
morpholine-4-carbaldehyde	999.11
sulfolane	616.34
2,2,4-trimethylpentane	33.72
2-methyltetrahydrofuran	599.14
n-hexyl acetate	340.35
isooctane	24.9
2-(2-butoxyethoxy)ethanol	556.36
sec-butyl acetate	374.38
tert-butyl acetate	489.49
decalin	51.41
glycerin	257.38
diglyme	1037.33
acrylic acid	363.64
isopropyl myristate	117.69
n-butyric acid	643.54
acetyl acetate	486.73
di(2-ethylhexyl) phthalate	129.74
ethyl propionate	412.6
nitromethane	1177.84
1,2-diethoxyethane	860.46
benzonitrile	470.98
trioctyl phosphate	81.11
1-bromopropane	574.22
gamma-valerolactone	960.99
n-decanol	83.24
triethyl phosphate	160.79
4-methyl-2-pentanol	213.45
propionitrile	494.3
vinylene carbonate	499.31
1,1,2-trichlorotrifluoroethane	751.93
DMS	359.67
cumene	149.73
2-octanol	88.33
2-hexanone	475.05
octyl acetate	146.99
limonene	142.43
1,2-dimethoxyethane	1259.78
ethyl orthosilicate	168.07
tributyl phosphate	133.34
diacetone alcohol	470.22
N,N-dimethylaniline	349.19
acrylonitrile	587.23
aniline	458.54
1,3-propanediol	518.38
bromobenzene	541.96
dibromomethane	1100.27
1,1,2,2-tetrachloroethane	1633.25
2-methyl-cyclohexyl acetate	267.44
tetrabutyl urea	153.46
diisobutyl methanol	119.48
2-phenylethanol	375.41
styrene	341.11
dioctyl adipate	185.65
dimethyl sulfate	332.45
ethyl butyrate	369.3
methyl lactate	200.75
butyl lactate	194.71
diethyl carbonate	273.7
propanediol butyl ether	313.23
triethyl orthoformate	248.7
p-tert-butyltoluene	98.96
methyl 4-tert-butylbenzoate	263.57
morpholine	1228.65
tert-butylamine	434.43
n-dodecanol	62.29
dimethoxymethane	735.46
ethylene carbonate	420.75
cyrene	293.05
2-ethoxyethyl acetate	420.68
2-ethylhexyl acetate	447.66
1,2,4-trichlorobenzene	536.43
4-methylpyridine	877.14
dibutyl ether	229.29
2,6-dimethyl-4-heptanol	119.48
DEF	770.47
dimethyl isosorbide	523.33
tetrachloroethylene	1003.86
eugenol	309.51
triacetin	318.62
span 80	274.88
1,4-butanediol	232.11
1,1-dichloroethane	999.5
2-methyl-1-pentanol	463.6
methyl formate	368.94
2-methyl-1-butanol	450.87
n-decane	13.37
butyronitrile	550.28
3,7-dimethyl-1-octanol	171.12
1-chlorooctane	91.14
1-chlorotetradecane	34.79
n-nonane	12.26
undecane	9.68
tert-butylcyclohexane	50.84
cyclooctane	16.87
cyclopentanol	229.31
tetrahydropyran	787.62
tert-amyl methyl ether	487.51
2,5,8-trioxanonane	682.39
1-hexene	286.21
2-isopropoxyethanol	549.04
2,2,2-trifluoroethanol	243.69
methyl butyrate	564.38

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