Molecular formula
C12H16O2

SMILES
CCC(CC1=CC=CC=C1)OC(=O)C

Fragrance
Floral	88.79%
Sweet	68.96%
Green	63.61%
Rose	58.52%
Honey	51.97%
Fruity	49.64%
Balsamic	49.53%
Hyacinth	44.98%
Fresh	39.69%
Herbal	38.87%

 

Flavor
Sweet	84.73%
Floral	75.0%
Bitter	53.36%
Rose	53.03%
Green	52.7%
Honey	45.45%
Fruity	44.37%
Fresh	39.31%
Tropical	38.55%
Balsam	37.53%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
8.05 (weak base)

Molecular weight
192.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
242°C

Flash point

• 116.55 ˚C est.

• 1-phenyl-2-butyl acetate
• SCHEMBL3008826

1-Phenyl-2-butyl acetate is employed as a fragrance solvent and aroma chemical in perfumery, contributing floral and woody notes that support accord development. It is commonly used as a cosmetic and personal care fragrance ingredient, providing scent in lotions, creams, and deodorants within formulation limits. In flavor and beverage contexts, it may serve as an aroma additive or flavor solvent in specialized formulations. It also functions as a specialty solvent for coatings and inks, assisting paint, varnish, and printing formulations due to its balance of volatility and solvency. In cleaning products, degreasers, and industrial formulations, it can act as a processing solvent or medium. Additionally, it may be used as an intermediate or processing aid in fragrance synthesis and certain polymer formulations, where it contributes to formulation flexibility. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1229.69
methanol	1783.87
isopropanol	739.28
water	1.84
ethyl acetate	552.02
n-propanol	822.3
acetone	1027.73
n-butanol	706.1
acetonitrile	737.82
DMF	1607.81
toluene	267.77
isobutanol	556.44
1,4-dioxane	1301.54
methyl acetate	550.23
THF	1065.19
2-butanone	595.35
n-pentanol	505.55
sec-butanol	539.43
n-hexane	71.52
ethylene glycol	303.29
NMP	964.08
cyclohexane	78.74
DMSO	1656.38
n-butyl acetate	402.53
n-octanol	175.2
chloroform	2280.19
n-propyl acetate	304.82
acetic acid	764.1
dichloromethane	1852.38
cyclohexanone	891.21
propylene glycol	394.34
isopropyl acetate	321.24
DMAc	1211.82
2-ethoxyethanol	582.87
isopentanol	545.72
n-heptane	23.13
ethyl formate	347.18
1,2-dichloroethane	1075.72
n-hexanol	447.23
2-methoxyethanol	995.53
isobutyl acetate	233.19
tetrachloromethane	168.77
n-pentyl acetate	201.33
transcutol	1820.69
n-heptanol	141.3
ethylbenzene	159.26
MIBK	297.13
2-propoxyethanol	664.5
tert-butanol	743.78
MTBE	537.67
2-butoxyethanol	281.44
propionic acid	574.39
o-xylene	157.56
formic acid	297.04
diethyl ether	660.07
m-xylene	175.8
p-xylene	192.26
chlorobenzene	449.3
dimethyl carbonate	223.01
n-octane	12.25
formamide	360.64
cyclopentanone	851.94
2-pentanone	474.2
anisole	379.58
cyclopentyl methyl ether	493.56
gamma-butyrolactone	875.53
1-methoxy-2-propanol	668.01
pyridine	775.28
3-pentanone	378.5
furfural	738.74
n-dodecane	13.73
diethylene glycol	540.56
diisopropyl ether	133.49
tert-amyl alcohol	520.36
acetylacetone	522.87
n-hexadecane	15.69
acetophenone	310.24
methyl propionate	431.21
isopentyl acetate	364.13
trichloroethylene	1741.16
n-nonanol	146.4
cyclohexanol	511.35
benzyl alcohol	344.43
2-ethylhexanol	220.71
isooctanol	115.88
dipropyl ether	229.7
1,2-dichlorobenzene	395.65
ethyl lactate	173.87
propylene carbonate	505.12
n-methylformamide	603.42
2-pentanol	343.41
n-pentane	42.9
1-propoxy-2-propanol	411.0
1-methoxy-2-propyl acetate	386.04
2-(2-methoxypropoxy) propanol	329.18
mesitylene	106.03
ε-caprolactone	634.33
p-cymene	84.38
epichlorohydrin	1067.18
1,1,1-trichloroethane	742.01
2-aminoethanol	525.52
morpholine-4-carbaldehyde	905.46
sulfolane	1056.8
2,2,4-trimethylpentane	27.42
2-methyltetrahydrofuran	730.68
n-hexyl acetate	338.39
isooctane	20.07
2-(2-butoxyethoxy)ethanol	463.57
sec-butyl acetate	209.98
tert-butyl acetate	342.81
decalin	49.6
glycerin	428.99
diglyme	767.89
acrylic acid	462.06
isopropyl myristate	125.45
n-butyric acid	668.43
acetyl acetate	343.43
di(2-ethylhexyl) phthalate	141.39
ethyl propionate	261.44
nitromethane	984.64
1,2-diethoxyethane	487.87
benzonitrile	397.49
trioctyl phosphate	93.29
1-bromopropane	598.89
gamma-valerolactone	1026.32
n-decanol	109.79
triethyl phosphate	129.56
4-methyl-2-pentanol	192.49
propionitrile	557.2
vinylene carbonate	505.53
1,1,2-trichlorotrifluoroethane	718.59
DMS	317.67
cumene	110.1
2-octanol	98.83
2-hexanone	374.5
octyl acetate	163.65
limonene	133.64
1,2-dimethoxyethane	898.11
ethyl orthosilicate	127.74
tributyl phosphate	132.92
diacetone alcohol	389.82
N,N-dimethylaniline	241.32
acrylonitrile	609.02
aniline	418.51
1,3-propanediol	587.65
bromobenzene	495.1
dibromomethane	1199.65
1,1,2,2-tetrachloroethane	1540.23
2-methyl-cyclohexyl acetate	220.56
tetrabutyl urea	167.61
diisobutyl methanol	109.11
2-phenylethanol	290.55
styrene	218.96
dioctyl adipate	195.63
dimethyl sulfate	355.67
ethyl butyrate	246.56
methyl lactate	244.77
butyl lactate	195.89
diethyl carbonate	187.93
propanediol butyl ether	333.17
triethyl orthoformate	174.52
p-tert-butyltoluene	83.51
methyl 4-tert-butylbenzoate	252.95
morpholine	1339.45
tert-butylamine	425.27
n-dodecanol	84.36
dimethoxymethane	694.96
ethylene carbonate	438.73
cyrene	293.15
2-ethoxyethyl acetate	309.58
2-ethylhexyl acetate	269.55
1,2,4-trichlorobenzene	455.57
4-methylpyridine	751.66
dibutyl ether	226.62
2,6-dimethyl-4-heptanol	109.11
DEF	604.6
dimethyl isosorbide	457.57
tetrachloroethylene	912.07
eugenol	262.97
triacetin	323.08
span 80	278.61
1,4-butanediol	283.91
1,1-dichloroethane	1000.41
2-methyl-1-pentanol	406.62
methyl formate	438.81
2-methyl-1-butanol	514.05
n-decane	22.03
butyronitrile	568.82
3,7-dimethyl-1-octanol	178.25
1-chlorooctane	120.79
1-chlorotetradecane	47.7
n-nonane	21.51
undecane	16.92
tert-butylcyclohexane	47.43
cyclooctane	20.61
cyclopentanol	470.72
tetrahydropyran	953.55
tert-amyl methyl ether	345.98
2,5,8-trioxanonane	535.95
1-hexene	326.41
2-isopropoxyethanol	381.35
2,2,2-trifluoroethanol	231.0
methyl butyrate	373.71

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