Molecular formula
C11H14O2

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

Fragrance
Fruity	96.85%
Floral	84.7%
Sweet	83.53%
Cherry	52.1%
Tropical	44.15%
Green	42.78%
Jasmin	42.67%
Rose	41.87%
Plum	41.35%
Apricot	40.14%

 

Flavor
Fruity	89.41%
Sweet	69.29%
Floral	67.14%
Balsam	53.2%
Berry	44.52%
Cherry	44.06%
Jasmin	43.96%
Plum	42.9%
Pineapple	39.35%
Strawberry	38.9%

 

Odor impact est.
Medium

XLogP3-AA
2.9

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

• 105.08 ˚C est.

• SCHEMBL3134365

(4-Methylphenyl)methyl propanoate is primarily used as a fragrance-related chemical, serving as an odorant and fragrance ingredient in perfumery with notes derived from the p-tolylmethyl group. It may also be used in cosmetics and personal care products as a fragrance additive, and in household products as a scent component. In industrial manufacturing, it can function as a solvent or processing aid for coatings, inks, and adhesives, and as an intermediate in the synthesis of fragrance compounds. Its role is typically in fragrance, solvent, and synthetic intermediate applications, with use dependent on formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1022.92
methanol	1064.09
isopropanol	654.54
water	1.23
ethyl acetate	1462.62
n-propanol	618.95
acetone	831.58
n-butanol	523.11
acetonitrile	1269.78
DMF	860.05
toluene	300.75
isobutanol	434.76
1,4-dioxane	1609.36
methyl acetate	1128.2
THF	834.1
2-butanone	876.82
n-pentanol	456.17
sec-butanol	537.46
n-hexane	34.38
ethylene glycol	131.6
NMP	362.02
cyclohexane	33.62
DMSO	577.14
n-butyl acetate	692.9
n-octanol	162.8
chloroform	2127.35
n-propyl acetate	699.67
acetic acid	769.49
dichloromethane	2100.84
cyclohexanone	720.46
propylene glycol	207.53
isopropyl acetate	679.92
DMAc	937.17
2-ethoxyethanol	844.37
isopentanol	513.29
n-heptane	17.28
ethyl formate	576.11
1,2-dichloroethane	1176.83
n-hexanol	379.07
2-methoxyethanol	980.72
isobutyl acetate	409.58
tetrachloromethane	152.23
n-pentyl acetate	266.65
transcutol	2251.55
n-heptanol	156.92
ethylbenzene	226.74
MIBK	396.24
2-propoxyethanol	640.05
tert-butanol	900.83
MTBE	870.33
2-butoxyethanol	331.98
propionic acid	537.53
o-xylene	206.59
formic acid	244.96
diethyl ether	911.94
m-xylene	201.8
p-xylene	297.51
chlorobenzene	433.26
dimethyl carbonate	270.85
n-octane	12.33
formamide	534.86
cyclopentanone	634.09
2-pentanone	622.02
anisole	575.79
cyclopentyl methyl ether	361.2
gamma-butyrolactone	770.32
1-methoxy-2-propanol	655.4
pyridine	924.77
3-pentanone	471.02
furfural	773.23
n-dodecane	14.1
diethylene glycol	431.56
diisopropyl ether	179.2
tert-amyl alcohol	696.1
acetylacetone	759.25
n-hexadecane	15.94
acetophenone	470.63
methyl propionate	651.67
isopentyl acetate	588.14
trichloroethylene	2159.56
n-nonanol	148.54
cyclohexanol	312.78
benzyl alcohol	405.14
2-ethylhexanol	233.89
isooctanol	143.94
dipropyl ether	239.26
1,2-dichlorobenzene	419.71
ethyl lactate	220.21
propylene carbonate	508.33
n-methylformamide	483.43
2-pentanol	373.99
n-pentane	20.05
1-propoxy-2-propanol	421.88
1-methoxy-2-propyl acetate	560.01
2-(2-methoxypropoxy) propanol	388.48
mesitylene	118.8
ε-caprolactone	663.23
p-cymene	107.35
epichlorohydrin	1165.71
1,1,1-trichloroethane	913.93
2-aminoethanol	334.48
morpholine-4-carbaldehyde	822.45
sulfolane	566.14
2,2,4-trimethylpentane	26.54
2-methyltetrahydrofuran	657.92
n-hexyl acetate	380.34
isooctane	20.72
2-(2-butoxyethoxy)ethanol	545.84
sec-butyl acetate	498.82
tert-butyl acetate	577.34
decalin	40.13
glycerin	236.43
diglyme	1001.28
acrylic acid	385.74
isopropyl myristate	149.67
n-butyric acid	790.45
acetyl acetate	668.56
di(2-ethylhexyl) phthalate	136.02
ethyl propionate	544.42
nitromethane	1331.13
1,2-diethoxyethane	794.8
benzonitrile	474.02
trioctyl phosphate	87.08
1-bromopropane	568.67
gamma-valerolactone	964.84
n-decanol	113.04
triethyl phosphate	174.71
4-methyl-2-pentanol	220.78
propionitrile	691.49
vinylene carbonate	535.42
1,1,2-trichlorotrifluoroethane	617.7
DMS	393.41
cumene	153.4
2-octanol	114.73
2-hexanone	530.28
octyl acetate	177.34
limonene	143.21
1,2-dimethoxyethane	1216.92
ethyl orthosilicate	176.06
tributyl phosphate	133.25
diacetone alcohol	521.06
N,N-dimethylaniline	329.21
acrylonitrile	787.82
aniline	363.74
1,3-propanediol	475.3
bromobenzene	482.97
dibromomethane	1188.82
1,1,2,2-tetrachloroethane	1554.53
2-methyl-cyclohexyl acetate	288.4
tetrabutyl urea	154.56
diisobutyl methanol	129.94
2-phenylethanol	338.04
styrene	316.88
dioctyl adipate	214.9
dimethyl sulfate	314.25
ethyl butyrate	452.05
methyl lactate	222.75
butyl lactate	199.03
diethyl carbonate	328.77
propanediol butyl ether	295.25
triethyl orthoformate	275.11
p-tert-butyltoluene	102.98
methyl 4-tert-butylbenzoate	289.96
morpholine	1447.19
tert-butylamine	512.26
n-dodecanol	87.53
dimethoxymethane	659.96
ethylene carbonate	463.65
cyrene	290.77
2-ethoxyethyl acetate	475.14
2-ethylhexyl acetate	434.54
1,2,4-trichlorobenzene	467.76
4-methylpyridine	888.03
dibutyl ether	262.23
2,6-dimethyl-4-heptanol	129.94
DEF	701.45
dimethyl isosorbide	526.79
tetrachloroethylene	908.7
eugenol	321.06
triacetin	381.57
span 80	271.33
1,4-butanediol	218.12
1,1-dichloroethane	1182.79
2-methyl-1-pentanol	453.59
methyl formate	359.7
2-methyl-1-butanol	460.84
n-decane	21.61
butyronitrile	683.64
3,7-dimethyl-1-octanol	195.08
1-chlorooctane	114.58
1-chlorotetradecane	48.66
n-nonane	18.75
undecane	17.03
tert-butylcyclohexane	47.07
cyclooctane	11.05
cyclopentanol	237.72
tetrahydropyran	875.83
tert-amyl methyl ether	494.79
2,5,8-trioxanonane	702.05
1-hexene	244.15
2-isopropoxyethanol	593.25
2,2,2-trifluoroethanol	231.15
methyl butyrate	753.36

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