Molecular formula
C12H16O3

SMILES
CCCC(=O)OCC(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.

• 2-hydroxy-2-phenylethyl n-butyrate

2-Hydroxy-2-phenylethyl n-butyrate is primarily used as a fragrance ingredient, contributing floral notes and occasionally functioning as a fixative to extend aroma longevity in perfumery and cosmetics. It is commonly evaluated for use in cosmetics and personal care products such as lotions and bath products, as well as in household products like air fresheners and cleaners to impart a lasting fragrance. In industrial manufacturing, it may serve as an aroma-related intermediate or processing aid in fragrance synthesis and can be added to coatings and inks as a fragrance additive. It can also act as a solvent or co-solvent in specialty formulations where compatible.

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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