Molecular formula
C16H22O2

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

Fragrance
Floral	76.19%
Balsamic	65.08%
Fruity	63.2%
Sweet	63.07%
Green	53.57%
Herbal	45.51%
Spicy	44.5%
Jasmin	42.9%
Tropical	40.63%
Rose	34.8%

 

Flavor
Green	64.94%
Floral	64.31%
Sweet	60.82%
Waxy	48.18%
Fresh	43.31%
Fruity	38.2%
Rose	36.49%
Tropical	35.93%
Herbal	34.76%
Woody	33.73%

 

Odor impact est.
Medium

XLogP3-AA
4.6

pKa est.
7.75 (neutral)

Molecular weight
246.34 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
307°C

Flash point

• 157.45 ˚C est.

For 1-Phenyloct-1-en-3-yl acetate, the compound is commonly used as an odor-active ingredient in perfumery, serving as a fragrance component that helps shape specific aroma profiles; it is also used in cosmetics and personal care formulations to impart fragrance; in household products such as cleaners and air fresheners it can function as a fragrance additive; in industrial manufacturing, it may serve as an intermediate or building block for the synthesis of more complex fragrance compounds; and in coatings and inks it is employed as a scent additive to improve product sensorial attributes.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1024.87
methanol	1138.82
isopropanol	573.75
water	0.1
ethyl acetate	970.71
n-propanol	731.62
acetone	1612.41
n-butanol	620.11
acetonitrile	762.15
DMF	1918.59
toluene	443.6
isobutanol	493.24
1,4-dioxane	1295.84
methyl acetate	755.55
THF	1508.88
2-butanone	952.39
n-pentanol	490.54
sec-butanol	518.1
n-hexane	91.98
ethylene glycol	122.8
NMP	1298.74
cyclohexane	110.09
DMSO	2300.98
n-butyl acetate	631.67
n-octanol	120.74
chloroform	2609.27
n-propyl acetate	535.46
acetic acid	584.09
dichloromethane	2758.13
cyclohexanone	1257.59
propylene glycol	249.39
isopropyl acetate	590.33
DMAc	1701.13
2-ethoxyethanol	615.06
isopentanol	500.24
n-heptane	25.46
ethyl formate	353.08
1,2-dichloroethane	2190.27
n-hexanol	417.96
2-methoxyethanol	942.2
isobutyl acetate	377.34
tetrachloromethane	197.2
n-pentyl acetate	293.34
transcutol	2755.06
n-heptanol	129.24
ethylbenzene	218.78
MIBK	490.35
2-propoxyethanol	698.23
tert-butanol	607.88
MTBE	811.47
2-butoxyethanol	306.66
propionic acid	462.22
o-xylene	226.86
formic acid	151.5
diethyl ether	1209.28
m-xylene	251.63
p-xylene	245.03
chlorobenzene	650.63
dimethyl carbonate	337.6
n-octane	11.18
formamide	286.94
cyclopentanone	1302.72
2-pentanone	862.75
anisole	508.42
cyclopentyl methyl ether	822.15
gamma-butyrolactone	1140.7
1-methoxy-2-propanol	730.81
pyridine	1080.27
3-pentanone	677.03
furfural	828.63
n-dodecane	10.46
diethylene glycol	468.54
diisopropyl ether	241.86
tert-amyl alcohol	517.36
acetylacetone	978.33
n-hexadecane	12.62
acetophenone	425.46
methyl propionate	787.4
isopentyl acetate	554.63
trichloroethylene	2786.44
n-nonanol	113.22
cyclohexanol	526.33
benzyl alcohol	368.08
2-ethylhexanol	233.68
isooctanol	115.89
dipropyl ether	353.31
1,2-dichlorobenzene	571.58
ethyl lactate	208.55
propylene carbonate	617.6
n-methylformamide	595.15
2-pentanol	378.48
n-pentane	49.07
1-propoxy-2-propanol	475.77
1-methoxy-2-propyl acetate	587.29
2-(2-methoxypropoxy) propanol	384.08
mesitylene	151.83
ε-caprolactone	863.84
p-cymene	102.5
epichlorohydrin	1745.4
1,1,1-trichloroethane	1142.0
2-aminoethanol	330.74
morpholine-4-carbaldehyde	1027.34
sulfolane	1496.18
2,2,4-trimethylpentane	35.38
2-methyltetrahydrofuran	1131.8
n-hexyl acetate	413.93
isooctane	27.02
2-(2-butoxyethoxy)ethanol	538.04
sec-butyl acetate	387.11
tert-butyl acetate	588.11
decalin	68.24
glycerin	286.68
diglyme	993.28
acrylic acid	364.68
isopropyl myristate	148.59
n-butyric acid	683.8
acetyl acetate	530.23
di(2-ethylhexyl) phthalate	158.5
ethyl propionate	459.9
nitromethane	1098.1
1,2-diethoxyethane	826.78
benzonitrile	426.06
trioctyl phosphate	100.16
1-bromopropane	1101.7
gamma-valerolactone	1286.25
n-decanol	85.76
triethyl phosphate	180.19
4-methyl-2-pentanol	208.65
propionitrile	524.51
vinylene carbonate	529.05
1,1,2-trichlorotrifluoroethane	943.77
DMS	431.62
cumene	140.14
2-octanol	85.49
2-hexanone	569.97
octyl acetate	182.62
limonene	177.76
1,2-dimethoxyethane	983.21
ethyl orthosilicate	176.09
tributyl phosphate	157.44
diacetone alcohol	529.3
N,N-dimethylaniline	312.65
acrylonitrile	578.94
aniline	556.33
1,3-propanediol	434.89
bromobenzene	776.86
dibromomethane	1737.26
1,1,2,2-tetrachloroethane	2460.67
2-methyl-cyclohexyl acetate	310.99
tetrabutyl urea	201.0
diisobutyl methanol	126.64
2-phenylethanol	346.0
styrene	329.87
dioctyl adipate	242.05
dimethyl sulfate	540.87
ethyl butyrate	378.33
methyl lactate	292.1
butyl lactate	237.11
diethyl carbonate	263.88
propanediol butyl ether	301.85
triethyl orthoformate	262.4
p-tert-butyltoluene	101.68
methyl 4-tert-butylbenzoate	291.44
morpholine	1632.7
tert-butylamine	367.36
n-dodecanol	67.16
dimethoxymethane	1023.42
ethylene carbonate	464.3
cyrene	322.68
2-ethoxyethyl acetate	491.63
2-ethylhexyl acetate	434.43
1,2,4-trichlorobenzene	676.81
4-methylpyridine	1007.41
dibutyl ether	294.81
2,6-dimethyl-4-heptanol	126.64
DEF	1021.76
dimethyl isosorbide	619.05
tetrachloroethylene	1321.95
eugenol	294.88
triacetin	427.02
span 80	304.3
1,4-butanediol	194.05
1,1-dichloroethane	1537.87
2-methyl-1-pentanol	422.35
methyl formate	372.79
2-methyl-1-butanol	503.21
n-decane	17.78
butyronitrile	567.53
3,7-dimethyl-1-octanol	158.66
1-chlorooctane	116.74
1-chlorotetradecane	44.59
n-nonane	17.01
undecane	13.24
tert-butylcyclohexane	55.89
cyclooctane	27.55
cyclopentanol	471.66
tetrahydropyran	1367.49
tert-amyl methyl ether	556.32
2,5,8-trioxanonane	669.2
1-hexene	424.49
2-isopropoxyethanol	444.93
2,2,2-trifluoroethanol	162.26
methyl butyrate	619.91

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