Molecular formula
C15H14O2

SMILES
CC(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2

Fragrance
Floral	80.63%
Honey	74.24%
Rose	59.72%
Balsamic	59.22%
Sweet	54.42%
Fruity	41.52%
Powdery	38.3%
Green	37.3%
Hyacinth	34.31%
Phenolic	34.29%

 

Flavor
Floral	51.42%
Sweet	45.36%
Honey	44.41%
Rose	39.83%
Waxy	37.55%
Balsam	36.75%
Green	34.51%
Fruity	29.84%
Bitter	24.82%
Chocolate	24.63%

 

Odor impact est.
Medium

XLogP3-AA
3.8

pKa est.
7.6 (neutral)

Molecular weight
226.27 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
302°C

Flash point

• 147.61 ˚C est.

• Phenyl 2-phenylpropanoate
• phenyl phenylpropionate
• SCHEMBL1046956
• YMMGSFWQSIZYOP-UHFFFAOYSA-N

Phenyl 2-phenylpropanoate is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing aroma notes and, in some formulations, acting as a fixative to help retain scent. It is also employed as an intermediate in organic synthesis for the preparation of more complex aroma compounds and related specialty chemicals. In industrial manufacturing, it can serve as a building block or specialty component in formulations for coatings, inks, and adhesives, where aroma contributions are valued. In consumer household products such as cleaners, it may be used to impart a characteristic scent as part of the fragrance system. Finally, it is sometimes evaluated for flavor/aroma applications, depending on regulatory approvals and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	199.45
methanol	234.52
isopropanol	107.89
water	0.38
ethyl acetate	528.14
n-propanol	155.16
acetone	624.24
n-butanol	152.36
acetonitrile	608.09
DMF	1236.78
toluene	181.04
isobutanol	118.16
1,4-dioxane	744.44
methyl acetate	548.91
THF	704.38
2-butanone	612.81
n-pentanol	115.88
sec-butanol	134.42
n-hexane	18.93
ethylene glycol	24.25
NMP	519.44
cyclohexane	30.16
DMSO	596.01
n-butyl acetate	376.2
n-octanol	83.36
chloroform	1565.46
n-propyl acetate	362.32
acetic acid	271.12
dichloromethane	1655.13
cyclohexanone	763.52
propylene glycol	35.94
isopropyl acetate	271.01
DMAc	1014.73
2-ethoxyethanol	196.37
isopentanol	148.33
n-heptane	14.43
ethyl formate	320.74
1,2-dichloroethane	1306.4
n-hexanol	131.58
2-methoxyethanol	318.8
isobutyl acetate	207.49
tetrachloromethane	64.54
n-pentyl acetate	170.41
transcutol	1058.18
n-heptanol	73.89
ethylbenzene	156.97
MIBK	240.42
2-propoxyethanol	246.72
tert-butanol	147.57
MTBE	223.01
2-butoxyethanol	158.87
propionic acid	230.24
o-xylene	116.38
formic acid	66.76
diethyl ether	385.38
m-xylene	110.88
p-xylene	179.92
chlorobenzene	464.58
dimethyl carbonate	251.32
n-octane	9.73
formamide	233.79
cyclopentanone	831.12
2-pentanone	442.23
anisole	384.95
cyclopentyl methyl ether	252.93
gamma-butyrolactone	850.79
1-methoxy-2-propanol	224.51
pyridine	830.62
3-pentanone	389.13
furfural	720.98
n-dodecane	10.87
diethylene glycol	144.74
diisopropyl ether	78.26
tert-amyl alcohol	150.97
acetylacetone	504.57
n-hexadecane	13.03
acetophenone	354.22
methyl propionate	403.6
isopentyl acetate	291.1
trichloroethylene	2119.13
n-nonanol	79.98
cyclohexanol	139.98
benzyl alcohol	201.02
2-ethylhexanol	100.42
isooctanol	68.8
dipropyl ether	155.48
1,2-dichlorobenzene	430.09
ethyl lactate	118.23
propylene carbonate	461.68
n-methylformamide	421.66
2-pentanol	97.69
n-pentane	9.72
1-propoxy-2-propanol	175.25
1-methoxy-2-propyl acetate	281.8
2-(2-methoxypropoxy) propanol	197.22
mesitylene	72.58
ε-caprolactone	537.25
p-cymene	69.2
epichlorohydrin	1189.99
1,1,1-trichloroethane	631.1
2-aminoethanol	66.51
morpholine-4-carbaldehyde	542.37
sulfolane	695.47
2,2,4-trimethylpentane	11.48
2-methyltetrahydrofuran	419.72
n-hexyl acetate	257.03
isooctane	8.87
2-(2-butoxyethoxy)ethanol	273.05
sec-butyl acetate	227.95
tert-butyl acetate	247.23
decalin	27.33
glycerin	59.1
diglyme	627.02
acrylic acid	210.97
isopropyl myristate	100.06
n-butyric acid	328.08
acetyl acetate	344.51
di(2-ethylhexyl) phthalate	84.16
ethyl propionate	326.76
nitromethane	854.49
1,2-diethoxyethane	374.08
benzonitrile	355.81
trioctyl phosphate	58.41
1-bromopropane	443.77
gamma-valerolactone	824.36
n-decanol	60.66
triethyl phosphate	115.89
4-methyl-2-pentanol	71.5
propionitrile	445.76
vinylene carbonate	500.68
1,1,2-trichlorotrifluoroethane	424.96
DMS	283.63
cumene	91.38
2-octanol	58.88
2-hexanone	330.57
octyl acetate	124.13
limonene	91.97
1,2-dimethoxyethane	573.45
ethyl orthosilicate	103.94
tributyl phosphate	85.5
diacetone alcohol	234.03
N,N-dimethylaniline	188.78
acrylonitrile	639.02
aniline	227.87
1,3-propanediol	122.31
bromobenzene	490.62
dibromomethane	940.22
1,1,2,2-tetrachloroethane	1440.36
2-methyl-cyclohexyl acetate	172.58
tetrabutyl urea	113.02
diisobutyl methanol	63.58
2-phenylethanol	178.76
styrene	239.47
dioctyl adipate	155.82
dimethyl sulfate	311.6
ethyl butyrate	287.79
methyl lactate	137.45
butyl lactate	124.96
diethyl carbonate	210.34
propanediol butyl ether	124.88
triethyl orthoformate	156.37
p-tert-butyltoluene	62.75
methyl 4-tert-butylbenzoate	199.72
morpholine	625.45
tert-butylamine	88.14
n-dodecanol	47.71
dimethoxymethane	531.77
ethylene carbonate	393.85
cyrene	174.89
2-ethoxyethyl acetate	271.44
2-ethylhexyl acetate	226.43
1,2,4-trichlorobenzene	424.14
4-methylpyridine	625.21
dibutyl ether	172.62
2,6-dimethyl-4-heptanol	63.58
DEF	546.2
dimethyl isosorbide	329.81
tetrachloroethylene	731.35
eugenol	196.9
triacetin	258.77
span 80	138.17
1,4-butanediol	44.92
1,1-dichloroethane	872.54
2-methyl-1-pentanol	132.71
methyl formate	349.42
2-methyl-1-butanol	139.16
n-decane	16.62
butyronitrile	372.07
3,7-dimethyl-1-octanol	89.38
1-chlorooctane	86.88
1-chlorotetradecane	35.31
n-nonane	14.49
undecane	13.19
tert-butylcyclohexane	23.43
cyclooctane	8.91
cyclopentanol	134.68
tetrahydropyran	580.64
tert-amyl methyl ether	174.02
2,5,8-trioxanonane	394.56
1-hexene	114.5
2-isopropoxyethanol	155.06
2,2,2-trifluoroethanol	101.88
methyl butyrate	464.15

Scent© AI