Molecular formula
C13H18O2

SMILES
CCC(CCC1=CC=CC=C1)OC(=O)C

Fragrance
Floral	86.7%
Sweet	73.31%
Green	64.06%
Fruity	61.92%
Balsamic	55.36%
Rose	48.63%
Fresh	43.6%
Honey	42.56%
Hyacinth	40.71%
Herbal	39.93%

 

Flavor
Sweet	76.61%
Floral	69.01%
Green	64.37%
Rose	52.96%
Bitter	49.04%
Fresh	43.59%
Honey	41.51%
Balsam	40.54%
Herbal	38.88%
Spicy	35.54%

 

Odor impact est.
Medium

XLogP3-AA
3.4

pKa est.
7.95 (neutral)

Molecular weight
206.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
259°C

Flash point

• 126.78 ˚C est.

1-Phenylpentan-3-yl acetate is used as a fragrance ingredient in perfumery and cosmetics, functioning as an odorant or fragrance fixative; it is also employed as an intermediate in organic synthesis for industrial manufacturing. It may be evaluated for use in household products and cleaners, and can serve as a fragrance component in coatings or inks, as well as a processing aid or solvent in certain formulation workflows.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1107.19
methanol	1549.15
isopropanol	607.72
water	0.71
ethyl acetate	715.0
n-propanol	709.57
acetone	1203.97
n-butanol	591.61
acetonitrile	848.03
DMF	1452.8
toluene	264.13
isobutanol	436.64
1,4-dioxane	1462.64
methyl acetate	656.09
THF	1152.88
2-butanone	729.68
n-pentanol	492.82
sec-butanol	433.58
n-hexane	66.85
ethylene glycol	199.37
NMP	816.35
cyclohexane	55.97
DMSO	1807.25
n-butyl acetate	531.11
n-octanol	131.62
chloroform	2274.53
n-propyl acetate	416.52
acetic acid	723.2
dichloromethane	2039.14
cyclohexanone	886.73
propylene glycol	274.09
isopropyl acetate	425.96
DMAc	1248.73
2-ethoxyethanol	731.37
isopentanol	515.85
n-heptane	19.11
ethyl formate	361.95
1,2-dichloroethane	1349.57
n-hexanol	405.06
2-methoxyethanol	1060.91
isobutyl acetate	307.2
tetrachloromethane	177.77
n-pentyl acetate	232.73
transcutol	2364.95
n-heptanol	123.58
ethylbenzene	160.69
MIBK	359.69
2-propoxyethanol	723.12
tert-butanol	683.82
MTBE	695.85
2-butoxyethanol	293.27
propionic acid	499.13
o-xylene	152.34
formic acid	269.4
diethyl ether	859.78
m-xylene	168.83
p-xylene	191.82
chlorobenzene	478.58
dimethyl carbonate	226.45
n-octane	9.77
formamide	375.52
cyclopentanone	872.15
2-pentanone	571.38
anisole	438.83
cyclopentyl methyl ether	539.23
gamma-butyrolactone	869.06
1-methoxy-2-propanol	664.61
pyridine	856.53
3-pentanone	437.59
furfural	754.49
n-dodecane	10.56
diethylene glycol	539.2
diisopropyl ether	162.56
tert-amyl alcohol	472.69
acetylacetone	680.76
n-hexadecane	12.29
acetophenone	336.58
methyl propionate	494.09
isopentyl acetate	475.07
trichloroethylene	1935.8
n-nonanol	119.47
cyclohexanol	389.65
benzyl alcohol	335.73
2-ethylhexanol	211.46
isooctanol	107.65
dipropyl ether	258.8
1,2-dichlorobenzene	425.88
ethyl lactate	176.27
propylene carbonate	489.02
n-methylformamide	562.35
2-pentanol	307.59
n-pentane	32.32
1-propoxy-2-propanol	435.24
1-methoxy-2-propyl acetate	476.09
2-(2-methoxypropoxy) propanol	355.45
mesitylene	107.66
ε-caprolactone	666.6
p-cymene	83.88
epichlorohydrin	1276.82
1,1,1-trichloroethane	848.2
2-aminoethanol	418.62
morpholine-4-carbaldehyde	910.58
sulfolane	1006.12
2,2,4-trimethylpentane	24.91
2-methyltetrahydrofuran	800.51
n-hexyl acetate	352.13
isooctane	19.49
2-(2-butoxyethoxy)ethanol	505.0
sec-butyl acetate	291.65
tert-butyl acetate	459.5
decalin	47.69
glycerin	348.18
diglyme	905.07
acrylic acid	386.14
isopropyl myristate	127.59
n-butyric acid	642.72
acetyl acetate	410.02
di(2-ethylhexyl) phthalate	137.52
ethyl propionate	332.08
nitromethane	1109.27
1,2-diethoxyethane	684.32
benzonitrile	412.23
trioctyl phosphate	86.0
1-bromopropane	701.52
gamma-valerolactone	1085.08
n-decanol	90.65
triethyl phosphate	143.73
4-methyl-2-pentanol	187.76
propionitrile	568.43
vinylene carbonate	466.57
1,1,2-trichlorotrifluoroethane	754.1
DMS	348.4
cumene	112.77
2-octanol	83.93
2-hexanone	461.35
octyl acetate	157.21
limonene	130.53
1,2-dimethoxyethane	1127.48
ethyl orthosilicate	147.17
tributyl phosphate	134.9
diacetone alcohol	444.92
N,N-dimethylaniline	257.72
acrylonitrile	623.86
aniline	404.1
1,3-propanediol	530.91
bromobenzene	538.8
dibromomethane	1319.82
1,1,2,2-tetrachloroethane	1748.5
2-methyl-cyclohexyl acetate	246.49
tetrabutyl urea	165.22
diisobutyl methanol	107.34
2-phenylethanol	301.76
styrene	233.1
dioctyl adipate	199.99
dimethyl sulfate	371.74
ethyl butyrate	302.73
methyl lactate	223.79
butyl lactate	203.66
diethyl carbonate	218.69
propanediol butyl ether	303.17
triethyl orthoformate	214.04
p-tert-butyltoluene	84.1
methyl 4-tert-butylbenzoate	254.42
morpholine	1527.35
tert-butylamine	384.83
n-dodecanol	69.04
dimethoxymethane	752.86
ethylene carbonate	424.66
cyrene	286.48
2-ethoxyethyl acetate	400.4
2-ethylhexyl acetate	347.04
1,2,4-trichlorobenzene	477.25
4-methylpyridine	776.56
dibutyl ether	243.59
2,6-dimethyl-4-heptanol	107.34
DEF	661.1
dimethyl isosorbide	507.52
tetrachloroethylene	973.52
eugenol	267.34
triacetin	347.31
span 80	276.64
1,4-butanediol	247.78
1,1-dichloroethane	1145.66
2-methyl-1-pentanol	409.99
methyl formate	364.92
2-methyl-1-butanol	445.34
n-decane	16.9
butyronitrile	585.94
3,7-dimethyl-1-octanol	155.85
1-chlorooctane	101.11
1-chlorotetradecane	40.59
n-nonane	15.95
undecane	12.91
tert-butylcyclohexane	45.56
cyclooctane	15.91
cyclopentanol	360.75
tetrahydropyran	1055.62
tert-amyl methyl ether	422.23
2,5,8-trioxanonane	603.97
1-hexene	331.98
2-isopropoxyethanol	466.35
2,2,2-trifluoroethanol	202.44
methyl butyrate	468.71

Scent© AI