Molecular formula
C13H18O2

SMILES
CC(CCCOC(=O)C)C1=CC=CC=C1

Fragrance
Floral	89.6%
Green	80.21%
Sweet	67.95%
Fruity	66.02%
Fresh	63.43%
Rose	49.22%
Balsamic	48.62%
Hyacinth	41.61%
Herbal	38.94%
Lily	37.85%

 

Flavor
Sweet	67.99%
Floral	67.64%
Green	66.68%
Rose	59.49%
Waxy	47.2%
Bitter	46.06%
Honey	43.93%
Balsam	42.99%
Fruity	40.72%
Tropical	39.63%

 

Odor impact est.
Medium

XLogP3-AA
3.1

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.
264°C

Flash point

• 132.66 ˚C est.

4-Phenylpentyl acetate (CAS number: ) is primarily used as a fragrance ingredient and odorant in perfumery; in cosmetics and personal care, it serves as a fragrance component in products such as moisturizers, soaps, and shampoos; in household products, it contributes to the scent in cleaners, air fresheners, and fabric care formulations; it is sometimes evaluated for use as a flavor/aroma ingredient in limited food flavor formulations; and as an intermediate in the synthesis of fragrance compounds for industrial manufacturing.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	819.72
methanol	1047.23
isopropanol	430.7
water	0.18
ethyl acetate	741.12
n-propanol	562.1
acetone	1025.19
n-butanol	410.16
acetonitrile	729.41
DMF	994.28
toluene	264.18
isobutanol	299.67
1,4-dioxane	1461.13
methyl acetate	626.37
THF	1228.48
2-butanone	758.08
n-pentanol	332.21
sec-butanol	328.27
n-hexane	29.75
ethylene glycol	114.68
NMP	596.04
cyclohexane	29.99
DMSO	1705.39
n-butyl acetate	409.44
n-octanol	67.0
chloroform	1911.43
n-propyl acetate	372.28
acetic acid	400.41
dichloromethane	1851.72
cyclohexanone	770.17
propylene glycol	199.82
isopropyl acetate	371.68
DMAc	884.96
2-ethoxyethanol	629.52
isopentanol	320.91
n-heptane	8.09
ethyl formate	258.48
1,2-dichloroethane	1376.11
n-hexanol	242.1
2-methoxyethanol	908.94
isobutyl acetate	240.52
tetrachloromethane	132.51
n-pentyl acetate	158.24
transcutol	2607.74
n-heptanol	70.18
ethylbenzene	125.95
MIBK	297.21
2-propoxyethanol	561.73
tert-butanol	473.52
MTBE	606.26
2-butoxyethanol	202.42
propionic acid	350.5
o-xylene	130.8
formic acid	149.79
diethyl ether	900.61
m-xylene	152.8
p-xylene	138.33
chlorobenzene	390.05
dimethyl carbonate	195.58
n-octane	3.91
formamide	288.29
cyclopentanone	841.15
2-pentanone	542.35
anisole	392.54
cyclopentyl methyl ether	536.87
gamma-butyrolactone	805.79
1-methoxy-2-propanol	580.75
pyridine	789.66
3-pentanone	421.0
furfural	669.12
n-dodecane	3.84
diethylene glycol	412.7
diisopropyl ether	130.26
tert-amyl alcohol	340.14
acetylacetone	609.08
n-hexadecane	4.63
acetophenone	281.02
methyl propionate	508.01
isopentyl acetate	351.8
trichloroethylene	1903.91
n-nonanol	62.8
cyclohexanol	292.22
benzyl alcohol	261.4
2-ethylhexanol	127.79
isooctanol	63.06
dipropyl ether	189.0
1,2-dichlorobenzene	348.69
ethyl lactate	138.2
propylene carbonate	363.34
n-methylformamide	437.99
2-pentanol	213.44
n-pentane	13.73
1-propoxy-2-propanol	336.56
1-methoxy-2-propyl acetate	426.62
2-(2-methoxypropoxy) propanol	291.88
mesitylene	87.48
ε-caprolactone	592.12
p-cymene	61.28
epichlorohydrin	1470.51
1,1,1-trichloroethane	762.81
2-aminoethanol	293.74
morpholine-4-carbaldehyde	788.8
sulfolane	949.81
2,2,4-trimethylpentane	14.65
2-methyltetrahydrofuran	849.96
n-hexyl acetate	243.94
isooctane	11.14
2-(2-butoxyethoxy)ethanol	437.29
sec-butyl acetate	258.1
tert-butyl acetate	419.66
decalin	26.77
glycerin	243.46
diglyme	849.81
acrylic acid	250.02
isopropyl myristate	85.18
n-butyric acid	437.67
acetyl acetate	322.32
di(2-ethylhexyl) phthalate	92.45
ethyl propionate	315.42
nitromethane	888.37
1,2-diethoxyethane	667.91
benzonitrile	300.28
trioctyl phosphate	55.08
1-bromopropane	627.76
gamma-valerolactone	1035.96
n-decanol	46.29
triethyl phosphate	118.42
4-methyl-2-pentanol	117.55
propionitrile	477.19
vinylene carbonate	341.58
1,1,2-trichlorotrifluoroethane	666.87
DMS	281.87
cumene	82.36
2-octanol	45.51
2-hexanone	395.21
octyl acetate	105.38
limonene	90.75
1,2-dimethoxyethane	923.71
ethyl orthosilicate	118.28
tributyl phosphate	91.35
diacetone alcohol	381.69
N,N-dimethylaniline	212.51
acrylonitrile	520.59
aniline	367.34
1,3-propanediol	388.93
bromobenzene	443.25
dibromomethane	1160.25
1,1,2,2-tetrachloroethane	1577.33
2-methyl-cyclohexyl acetate	196.49
tetrabutyl urea	109.75
diisobutyl methanol	69.75
2-phenylethanol	222.39
styrene	183.98
dioctyl adipate	146.73
dimethyl sulfate	313.31
ethyl butyrate	247.33
methyl lactate	185.25
butyl lactate	147.18
diethyl carbonate	175.83
propanediol butyl ether	218.06
triethyl orthoformate	172.67
p-tert-butyltoluene	61.32
methyl 4-tert-butylbenzoate	193.44
morpholine	1768.79
tert-butylamine	244.27
n-dodecanol	34.77
dimethoxymethane	729.07
ethylene carbonate	299.46
cyrene	241.19
2-ethoxyethyl acetate	352.08
2-ethylhexyl acetate	261.45
1,2,4-trichlorobenzene	426.02
4-methylpyridine	674.71
dibutyl ether	161.02
2,6-dimethyl-4-heptanol	69.75
DEF	572.5
dimethyl isosorbide	451.57
tetrachloroethylene	837.17
eugenol	205.04
triacetin	279.66
span 80	201.75
1,4-butanediol	164.33
1,1-dichloroethane	1095.25
2-methyl-1-pentanol	264.47
methyl formate	272.46
2-methyl-1-butanol	291.03
n-decane	6.45
butyronitrile	428.15
3,7-dimethyl-1-octanol	93.64
1-chlorooctane	53.52
1-chlorotetradecane	19.68
n-nonane	6.0
undecane	4.72
tert-butylcyclohexane	25.66
cyclooctane	8.59
cyclopentanol	273.12
tetrahydropyran	1128.32
tert-amyl methyl ether	350.31
2,5,8-trioxanonane	540.39
1-hexene	189.65
2-isopropoxyethanol	397.41
2,2,2-trifluoroethanol	115.25
methyl butyrate	408.31

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