Molecular formula
C16H16O2

SMILES
CC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Fragrance
Sweet	78.74%
Floral	76.9%
Fruity	74.43%
Balsamic	71.47%
Honey	67.3%
Rose	59.83%
Spicy	44.69%
Powdery	40.3%
Green	37.48%
Hyacinth	35.99%

 

Flavor
Floral	68.26%
Rose	59.38%
Sweet	58.89%
Fruity	57.55%
Balsam	53.37%
Honey	50.39%
Waxy	41.44%
Green	39.35%
Peach	34.2%
Oily	33.04%

 

Odor impact est.
Medium

XLogP3-AA
3.8

pKa est.
6.74 (neutral)

Molecular weight
240.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
319°C

Flash point

• 157.9 ˚C est.

• SCHEMBL4007604
• YVYHORGNKSXSRV-UHFFFAOYSA-N
• 2-phenyl-propionic acid benzyl ester

2-Phenyl-propionic acid benzyl ester is primarily used as an aroma ester in fragrance chemistry, contributing floral and woody notes and serving as a fragrance ingredient in perfumery and cosmetic formulations. It is commonly evaluated as an intermediate in organic synthesis, enabling the preparation of more complex esters for specialty applications. In consumer products, it may appear as a fragrance additive in household cleaners and personal care products. In industrial manufacturing, it acts as a building block for fragrance compound synthesis and as an intermediate in research-scale production. It can also be encountered as a solvent or processing aid in certain coatings or inks formulations where esters are desirable for dissolution and volatility characteristics.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	100.04
methanol	133.41
isopropanol	49.57
water	0.51
ethyl acetate	384.3
n-propanol	79.76
acetone	207.96
n-butanol	75.08
acetonitrile	313.63
DMF	394.29
toluene	145.05
isobutanol	55.42
1,4-dioxane	466.79
methyl acetate	327.53
THF	374.6
2-butanone	300.09
n-pentanol	63.72
sec-butanol	60.34
n-hexane	12.3
ethylene glycol	14.51
NMP	198.11
cyclohexane	18.46
DMSO	212.47
n-butyl acetate	220.86
n-octanol	41.53
chloroform	1272.12
n-propyl acetate	238.98
acetic acid	168.97
dichloromethane	1403.39
cyclohexanone	356.38
propylene glycol	20.7
isopropyl acetate	195.77
DMAc	527.2
2-ethoxyethanol	140.06
isopentanol	80.89
n-heptane	10.77
ethyl formate	184.15
1,2-dichloroethane	1047.82
n-hexanol	78.02
2-methoxyethanol	179.32
isobutyl acetate	145.42
tetrachloromethane	57.13
n-pentyl acetate	107.0
transcutol	851.31
n-heptanol	46.53
ethylbenzene	115.73
MIBK	157.73
2-propoxyethanol	155.31
tert-butanol	80.32
MTBE	128.9
2-butoxyethanol	110.26
propionic acid	134.38
o-xylene	94.02
formic acid	53.12
diethyl ether	232.76
m-xylene	87.92
p-xylene	124.88
chlorobenzene	319.0
dimethyl carbonate	161.47
n-octane	6.26
formamide	174.91
cyclopentanone	374.23
2-pentanone	224.74
anisole	276.54
cyclopentyl methyl ether	136.44
gamma-butyrolactone	475.05
1-methoxy-2-propanol	124.14
pyridine	502.33
3-pentanone	228.07
furfural	445.07
n-dodecane	5.67
diethylene glycol	92.03
diisopropyl ether	55.33
tert-amyl alcohol	81.3
acetylacetone	309.97
n-hexadecane	6.73
acetophenone	252.74
methyl propionate	260.13
isopentyl acetate	196.55
trichloroethylene	1621.39
n-nonanol	43.93
cyclohexanol	67.07
benzyl alcohol	128.84
2-ethylhexanol	63.6
isooctanol	45.16
dipropyl ether	112.89
1,2-dichlorobenzene	316.56
ethyl lactate	79.25
propylene carbonate	281.38
n-methylformamide	195.41
2-pentanol	50.44
n-pentane	6.93
1-propoxy-2-propanol	113.32
1-methoxy-2-propyl acetate	207.56
2-(2-methoxypropoxy) propanol	142.75
mesitylene	58.66
ε-caprolactone	302.68
p-cymene	55.17
epichlorohydrin	756.67
1,1,1-trichloroethane	467.86
2-aminoethanol	41.94
morpholine-4-carbaldehyde	301.68
sulfolane	370.36
2,2,4-trimethylpentane	8.44
2-methyltetrahydrofuran	209.15
n-hexyl acetate	141.05
isooctane	6.72
2-(2-butoxyethoxy)ethanol	191.58
sec-butyl acetate	162.93
tert-butyl acetate	178.84
decalin	19.73
glycerin	35.24
diglyme	480.54
acrylic acid	127.28
isopropyl myristate	60.99
n-butyric acid	196.2
acetyl acetate	251.11
di(2-ethylhexyl) phthalate	56.23
ethyl propionate	230.83
nitromethane	508.96
1,2-diethoxyethane	303.6
benzonitrile	215.22
trioctyl phosphate	35.14
1-bromopropane	316.69
gamma-valerolactone	430.12
n-decanol	33.62
triethyl phosphate	87.8
4-methyl-2-pentanol	45.39
propionitrile	239.67
vinylene carbonate	308.49
1,1,2-trichlorotrifluoroethane	289.99
DMS	183.26
cumene	71.82
2-octanol	31.36
2-hexanone	196.22
octyl acetate	70.5
limonene	67.36
1,2-dimethoxyethane	383.13
ethyl orthosilicate	83.8
tributyl phosphate	52.89
diacetone alcohol	151.35
N,N-dimethylaniline	147.61
acrylonitrile	344.12
aniline	145.53
1,3-propanediol	69.32
bromobenzene	352.14
dibromomethane	760.33
1,1,2,2-tetrachloroethane	1138.9
2-methyl-cyclohexyl acetate	132.37
tetrabutyl urea	67.65
diisobutyl methanol	47.24
2-phenylethanol	122.95
styrene	165.41
dioctyl adipate	100.54
dimethyl sulfate	198.3
ethyl butyrate	207.24
methyl lactate	84.73
butyl lactate	81.99
diethyl carbonate	155.09
propanediol butyl ether	77.32
triethyl orthoformate	124.59
p-tert-butyltoluene	49.89
methyl 4-tert-butylbenzoate	152.47
morpholine	356.83
tert-butylamine	51.35
n-dodecanol	26.94
dimethoxymethane	321.09
ethylene carbonate	244.79
cyrene	122.59
2-ethoxyethyl acetate	190.83
2-ethylhexyl acetate	155.46
1,2,4-trichlorobenzene	310.27
4-methylpyridine	339.65
dibutyl ether	103.65
2,6-dimethyl-4-heptanol	47.24
DEF	276.19
dimethyl isosorbide	263.63
tetrachloroethylene	606.24
eugenol	146.75
triacetin	169.71
span 80	88.98
1,4-butanediol	30.23
1,1-dichloroethane	580.04
2-methyl-1-pentanol	81.23
methyl formate	169.19
2-methyl-1-butanol	71.06
n-decane	9.01
butyronitrile	200.77
3,7-dimethyl-1-octanol	56.25
1-chlorooctane	47.36
1-chlorotetradecane	20.25
n-nonane	7.73
undecane	6.88
tert-butylcyclohexane	17.57
cyclooctane	6.89
cyclopentanol	53.39
tetrahydropyran	290.84
tert-amyl methyl ether	105.59
2,5,8-trioxanonane	299.74
1-hexene	65.91
2-isopropoxyethanol	109.87
2,2,2-trifluoroethanol	74.58
methyl butyrate	296.24

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