Molecular formula
C11H14O3

SMILES
CCC(=O)OCC(C1=CC=CC=C1)O

Fragrance
Fruity	73.11%
Sweet	47.29%
Caramellic	41.44%
Honey	35.83%
Floral	35.71%
Buttery	33.78%
Fatty	31.35%
Balsamic	30.48%
Creamy	28.48%
Winey	27.53%

 

Flavor
Sweet	74.2%
Fruity	68.23%
Floral	56.74%
Balsam	38.19%
Rose	35.35%
Grape	33.87%
Honey	33.11%
Strawberry	30.64%
Berry	30.58%
Bitter	30.5%

 

Odor impact est.
Medium

XLogP3-AA
1.4

pKa est.
7.09 (neutral)

Molecular weight
194.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
285°C

Flash point

• 145.25 ˚C est.

• SCHEMBL4352840
• 2-hydroxy-2-phenylethyl propanoate

2-Hydroxy-2-phenylethyl propanoate is commonly used as an aroma-chemical in fragrance and cosmetics, serving as an odorant and scent ingredient in perfumery and personal-care formulations. It is also employed as an intermediate in fragrance synthesis to facilitate synthesis of related aroma compounds. In household products, it is used as a fragrance component in detergents, cleaners, and air fresheners. It may be considered for flavor/aroma applications in food or beverage formulations, subject to regulatory approval and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	292.66
methanol	703.24
isopropanol	143.2
water	2.45
ethyl acetate	392.86
n-propanol	158.44
acetone	295.31
n-butanol	131.68
acetonitrile	337.13
DMF	597.93
toluene	58.89
isobutanol	90.3
1,4-dioxane	539.62
methyl acetate	295.96
THF	336.14
2-butanone	206.95
n-pentanol	113.58
sec-butanol	113.89
n-hexane	3.27
ethylene glycol	110.33
NMP	213.69
cyclohexane	6.27
DMSO	824.01
n-butyl acetate	176.06
n-octanol	40.31
chloroform	401.12
n-propyl acetate	180.94
acetic acid	503.72
dichloromethane	487.32
cyclohexanone	218.73
propylene glycol	81.96
isopropyl acetate	168.74
DMAc	622.79
2-ethoxyethanol	367.55
isopentanol	133.16
n-heptane	3.11
ethyl formate	168.52
1,2-dichloroethane	381.73
n-hexanol	95.36
2-methoxyethanol	493.15
isobutyl acetate	106.72
tetrachloromethane	26.12
n-pentyl acetate	69.52
transcutol	1239.0
n-heptanol	42.46
ethylbenzene	45.12
MIBK	120.73
2-propoxyethanol	217.7
tert-butanol	300.75
MTBE	200.42
2-butoxyethanol	118.88
propionic acid	195.06
o-xylene	54.67
formic acid	314.59
diethyl ether	216.54
m-xylene	44.47
p-xylene	57.73
chlorobenzene	109.95
dimethyl carbonate	129.04
n-octane	2.32
formamide	577.44
cyclopentanone	232.36
2-pentanone	161.98
anisole	163.66
cyclopentyl methyl ether	110.26
gamma-butyrolactone	335.21
1-methoxy-2-propanol	257.58
pyridine	261.39
3-pentanone	135.02
furfural	359.29
n-dodecane	3.02
diethylene glycol	258.22
diisopropyl ether	40.35
tert-amyl alcohol	197.88
acetylacetone	305.48
n-hexadecane	3.44
acetophenone	151.35
methyl propionate	210.55
isopentyl acetate	150.26
trichloroethylene	632.24
n-nonanol	38.67
cyclohexanol	84.89
benzyl alcohol	120.67
2-ethylhexanol	57.71
isooctanol	37.99
dipropyl ether	60.18
1,2-dichlorobenzene	120.86
ethyl lactate	81.88
propylene carbonate	187.58
n-methylformamide	274.33
2-pentanol	82.75
n-pentane	2.85
1-propoxy-2-propanol	126.11
1-methoxy-2-propyl acetate	174.1
2-(2-methoxypropoxy) propanol	166.62
mesitylene	30.57
ε-caprolactone	203.75
p-cymene	29.32
epichlorohydrin	451.34
1,1,1-trichloroethane	165.84
2-aminoethanol	172.64
morpholine-4-carbaldehyde	410.47
sulfolane	374.49
2,2,4-trimethylpentane	5.43
2-methyltetrahydrofuran	173.04
n-hexyl acetate	96.16
isooctane	3.67
2-(2-butoxyethoxy)ethanol	228.23
sec-butyl acetate	116.33
tert-butyl acetate	176.38
decalin	8.23
glycerin	164.42
diglyme	480.11
acrylic acid	190.72
isopropyl myristate	42.53
n-butyric acid	248.4
acetyl acetate	245.07
di(2-ethylhexyl) phthalate	48.86
ethyl propionate	145.62
nitromethane	923.06
1,2-diethoxyethane	260.81
benzonitrile	123.93
trioctyl phosphate	31.34
1-bromopropane	108.01
gamma-valerolactone	353.53
n-decanol	30.57
triethyl phosphate	65.26
4-methyl-2-pentanol	57.48
propionitrile	169.0
vinylene carbonate	200.22
1,1,2-trichlorotrifluoroethane	325.22
DMS	135.74
cumene	33.87
2-octanol	27.05
2-hexanone	127.79
octyl acetate	50.6
limonene	39.71
1,2-dimethoxyethane	502.33
ethyl orthosilicate	61.22
tributyl phosphate	47.52
diacetone alcohol	202.09
N,N-dimethylaniline	100.48
acrylonitrile	245.93
aniline	104.85
1,3-propanediol	233.73
bromobenzene	103.8
dibromomethane	238.65
1,1,2,2-tetrachloroethane	459.94
2-methyl-cyclohexyl acetate	87.01
tetrabutyl urea	61.44
diisobutyl methanol	37.61
2-phenylethanol	101.45
styrene	65.27
dioctyl adipate	73.41
dimethyl sulfate	213.28
ethyl butyrate	120.18
methyl lactate	107.2
butyl lactate	68.35
diethyl carbonate	100.94
propanediol butyl ether	119.98
triethyl orthoformate	87.01
p-tert-butyltoluene	28.06
methyl 4-tert-butylbenzoate	109.43
morpholine	467.6
tert-butylamine	127.67
n-dodecanol	24.12
dimethoxymethane	362.89
ethylene carbonate	169.38
cyrene	138.42
2-ethoxyethyl acetate	151.74
2-ethylhexyl acetate	108.88
1,2,4-trichlorobenzene	137.67
4-methylpyridine	183.39
dibutyl ether	62.09
2,6-dimethyl-4-heptanol	37.61
DEF	244.07
dimethyl isosorbide	237.71
tetrachloroethylene	287.74
eugenol	120.29
triacetin	142.46
span 80	105.44
1,4-butanediol	95.67
1,1-dichloroethane	212.07
2-methyl-1-pentanol	107.56
methyl formate	220.95
2-methyl-1-butanol	106.39
n-decane	4.29
butyronitrile	142.47
3,7-dimethyl-1-octanol	49.78
1-chlorooctane	24.58
1-chlorotetradecane	11.16
n-nonane	3.47
undecane	3.5
tert-butylcyclohexane	7.6
cyclooctane	2.57
cyclopentanol	75.3
tetrahydropyran	229.29
tert-amyl methyl ether	135.95
2,5,8-trioxanonane	340.31
1-hexene	25.23
2-isopropoxyethanol	209.72
2,2,2-trifluoroethanol	163.43
methyl butyrate	195.01

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