Molecular formula
C12H16O3

SMILES
CCCC(=O)OC[C@H](C1=CC=CC=C1)O

Fragrance
Fruity	82.57%
Sweet	48.67%
Caramellic	41.21%
Floral	35.55%
Honey	32.61%
Buttery	31.57%
Berry	28.36%
Winey	28.15%
Fatty	27.94%
Balsamic	26.83%

 

Flavor
Fruity	63.29%
Sweet	60.77%
Floral	41.49%
Grape	34.14%
Balsam	33.73%
Mild	31.66%
Rose	30.61%
Creamy	30.53%
Berry	30.1%
Waxy	29.59%

 

Odor impact est.
Medium

XLogP3-AA
1.8

pKa est.
7.69 (neutral)

Molecular weight
208.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
296°C

Flash point

• 150.09 ˚C est.

[(2S)-2-hydroxy-2-phenylethyl] butanoate is commonly used as a fragrance ingredient and fixative in perfumery, helping to stabilize and extend aroma in perfumes and personal care products; it is also employed as an aroma component in food applications where permitted and may appear in cosmetic formulas and household cleaners; as an intermediate in organic synthesis, it supports the development of complex compounds for pharmaceutical and chemical industry applications; and in industrial manufacturing it can serve as a fragrance additive for cleaners or coatings, depending on local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	601.06
methanol	1394.06
isopropanol	245.03
water	0.55
ethyl acetate	596.97
n-propanol	336.95
acetone	703.85
n-butanol	261.84
acetonitrile	669.11
DMF	1063.88
toluene	106.38
isobutanol	181.97
1,4-dioxane	625.0
methyl acetate	451.92
THF	524.62
2-butanone	421.38
n-pentanol	193.94
sec-butanol	208.2
n-hexane	6.22
ethylene glycol	116.61
NMP	451.34
cyclohexane	12.03
DMSO	1782.45
n-butyl acetate	326.0
n-octanol	58.76
chloroform	814.51
n-propyl acetate	305.11
acetic acid	634.45
dichloromethane	987.83
cyclohexanone	449.09
propylene glycol	128.17
isopropyl acetate	255.46
DMAc	763.24
2-ethoxyethanol	431.04
isopentanol	229.15
n-heptane	3.99
ethyl formate	239.62
1,2-dichloroethane	876.03
n-hexanol	167.41
2-methoxyethanol	670.06
isobutyl acetate	163.63
tetrachloromethane	43.39
n-pentyl acetate	112.62
transcutol	1754.34
n-heptanol	61.29
ethylbenzene	71.94
MIBK	197.72
2-propoxyethanol	342.44
tert-butanol	383.05
MTBE	275.85
2-butoxyethanol	164.08
propionic acid	307.07
o-xylene	80.84
formic acid	277.56
diethyl ether	366.59
m-xylene	73.43
p-xylene	86.0
chlorobenzene	228.33
dimethyl carbonate	164.14
n-octane	2.85
formamide	569.42
cyclopentanone	523.89
2-pentanone	344.82
anisole	223.03
cyclopentyl methyl ether	222.35
gamma-butyrolactone	640.81
1-methoxy-2-propanol	395.26
pyridine	431.22
3-pentanone	257.08
furfural	508.87
n-dodecane	3.67
diethylene glycol	332.42
diisopropyl ether	62.39
tert-amyl alcohol	287.51
acetylacetone	473.32
n-hexadecane	4.27
acetophenone	221.82
methyl propionate	355.01
isopentyl acetate	249.76
trichloroethylene	1260.78
n-nonanol	54.34
cyclohexanol	170.14
benzyl alcohol	176.17
2-ethylhexanol	93.68
isooctanol	54.17
dipropyl ether	90.33
1,2-dichlorobenzene	220.13
ethyl lactate	119.84
propylene carbonate	318.49
n-methylformamide	454.33
2-pentanol	149.01
n-pentane	4.49
1-propoxy-2-propanol	208.17
1-methoxy-2-propyl acetate	255.8
2-(2-methoxypropoxy) propanol	213.77
mesitylene	47.79
ε-caprolactone	388.94
p-cymene	41.89
epichlorohydrin	816.97
1,1,1-trichloroethane	341.06
2-aminoethanol	237.01
morpholine-4-carbaldehyde	540.11
sulfolane	714.66
2,2,4-trimethylpentane	7.77
2-methyltetrahydrofuran	316.37
n-hexyl acetate	157.8
isooctane	5.96
2-(2-butoxyethoxy)ethanol	306.58
sec-butyl acetate	177.24
tert-butyl acetate	247.71
decalin	13.01
glycerin	206.7
diglyme	612.33
acrylic acid	280.79
isopropyl myristate	60.54
n-butyric acid	403.53
acetyl acetate	306.48
di(2-ethylhexyl) phthalate	67.79
ethyl propionate	227.79
nitromethane	1299.23
1,2-diethoxyethane	364.25
benzonitrile	205.08
trioctyl phosphate	45.64
1-bromopropane	258.61
gamma-valerolactone	602.67
n-decanol	41.69
triethyl phosphate	86.11
4-methyl-2-pentanol	88.86
propionitrile	302.5
vinylene carbonate	305.48
1,1,2-trichlorotrifluoroethane	480.11
DMS	191.13
cumene	49.71
2-octanol	39.9
2-hexanone	243.82
octyl acetate	74.99
limonene	61.43
1,2-dimethoxyethane	615.64
ethyl orthosilicate	77.92
tributyl phosphate	68.12
diacetone alcohol	282.41
N,N-dimethylaniline	126.82
acrylonitrile	433.07
aniline	183.91
1,3-propanediol	321.85
bromobenzene	225.72
dibromomethane	542.52
1,1,2,2-tetrachloroethane	975.5
2-methyl-cyclohexyl acetate	126.97
tetrabutyl urea	87.82
diisobutyl methanol	53.88
2-phenylethanol	148.75
styrene	106.97
dioctyl adipate	104.29
dimethyl sulfate	280.79
ethyl butyrate	182.6
methyl lactate	165.46
butyl lactate	112.77
diethyl carbonate	140.6
propanediol butyl ether	176.52
triethyl orthoformate	115.01
p-tert-butyltoluene	39.98
methyl 4-tert-butylbenzoate	144.74
morpholine	667.02
tert-butylamine	173.34
n-dodecanol	32.71
dimethoxymethane	492.57
ethylene carbonate	254.25
cyrene	179.04
2-ethoxyethyl acetate	219.05
2-ethylhexyl acetate	169.33
1,2,4-trichlorobenzene	244.08
4-methylpyridine	344.46
dibutyl ether	94.54
2,6-dimethyl-4-heptanol	53.88
DEF	430.73
dimethyl isosorbide	310.08
tetrachloroethylene	524.9
eugenol	160.6
triacetin	194.54
span 80	146.93
1,4-butanediol	121.51
1,1-dichloroethane	527.71
2-methyl-1-pentanol	174.05
methyl formate	328.99
2-methyl-1-butanol	190.36
n-decane	5.46
butyronitrile	277.87
3,7-dimethyl-1-octanol	73.44
1-chlorooctane	38.26
1-chlorotetradecane	15.73
n-nonane	4.62
undecane	4.33
tert-butylcyclohexane	11.53
cyclooctane	3.84
cyclopentanol	146.29
tetrahydropyran	415.27
tert-amyl methyl ether	187.35
2,5,8-trioxanonane	414.67
1-hexene	56.01
2-isopropoxyethanol	259.42
2,2,2-trifluoroethanol	172.24
methyl butyrate	334.58

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