Molecular formula
C14H18O2

SMILES
CCCCC(=O)OCC=CC1=CC=CC=C1

Fragrance
Fruity	79.25%
Balsamic	70.83%
Floral	68.54%
Sweet	67.14%
Spicy	51.87%
Rose	49.9%
Herbal	45.3%
Green	44.47%
Apple	43.69%
Honey	42.9%

 

Flavor
Balsam	47.58%
Green	46.29%
Floral	40.91%
Waxy	32.32%
Rose	31.34%
Fresh	30.97%
Honey	30.84%
Leaf	29.82%
Sweet	29.78%
Fruity	29.73%

 

Odor impact est.
Medium

XLogP3-AA
3.6

pKa est.
7.27 (neutral)

Molecular weight
218.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
294°C

Flash point

• 149.74 ˚C est.

• 3-phenylprop-2-en-1-yl pentanoate
• 3-phenylprop-2-enyl pentanoate
• DTXSID60864281
• 3-Phenylprop-2-en-1-yl pentanoic acid
• DB-254230

3-Phenylprop-2-en-1-yl pentanoate is primarily used as a fragrance ingredient in perfumery and cosmetics, acting as a fixative or aroma component to help extend scent longevity. It can be incorporated in household products such as fragranced cleaners and air fresheners to impart cinnamyl-like notes. It may be evaluated for flavor/aroma applications in food and beverage contexts, subject to regulatory acceptance and formulation constraints. In industrial manufacturing, it serves as an intermediate in the synthesis of related fragrance constituents. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	789.74
methanol	977.81
isopropanol	378.7
water	0.13
ethyl acetate	857.77
n-propanol	505.57
acetone	1236.82
n-butanol	458.41
acetonitrile	826.99
DMF	1587.32
toluene	396.26
isobutanol	330.69
1,4-dioxane	941.28
methyl acetate	692.43
THF	931.37
2-butanone	824.17
n-pentanol	362.94
sec-butanol	355.45
n-hexane	47.22
ethylene glycol	89.95
NMP	781.92
cyclohexane	67.5
DMSO	1865.66
n-butyl acetate	579.43
n-octanol	122.32
chloroform	2261.84
n-propyl acetate	559.28
acetic acid	585.95
dichloromethane	2622.43
cyclohexanone	930.76
propylene glycol	159.03
isopropyl acetate	423.22
DMAc	1188.69
2-ethoxyethanol	521.28
isopentanol	364.63
n-heptane	20.77
ethyl formate	380.17
1,2-dichloroethane	1873.29
n-hexanol	331.33
2-methoxyethanol	699.1
isobutyl acetate	320.2
tetrachloromethane	149.33
n-pentyl acetate	250.45
transcutol	2127.12
n-heptanol	119.24
ethylbenzene	218.63
MIBK	355.63
2-propoxyethanol	528.42
tert-butanol	418.4
MTBE	472.21
2-butoxyethanol	266.03
propionic acid	397.88
o-xylene	202.46
formic acid	139.41
diethyl ether	720.06
m-xylene	215.72
p-xylene	236.65
chlorobenzene	616.05
dimethyl carbonate	259.1
n-octane	11.21
formamide	289.18
cyclopentanone	959.14
2-pentanone	662.58
anisole	478.16
cyclopentyl methyl ether	442.16
gamma-butyrolactone	919.43
1-methoxy-2-propanol	507.5
pyridine	1007.17
3-pentanone	505.04
furfural	782.96
n-dodecane	11.81
diethylene glycol	347.03
diisopropyl ether	139.12
tert-amyl alcohol	362.85
acetylacetone	697.6
n-hexadecane	13.8
acetophenone	433.94
methyl propionate	596.3
isopentyl acetate	445.14
trichloroethylene	2755.66
n-nonanol	111.88
cyclohexanol	353.19
benzyl alcohol	335.74
2-ethylhexanol	189.16
isooctanol	105.35
dipropyl ether	248.42
1,2-dichlorobenzene	536.75
ethyl lactate	190.65
propylene carbonate	514.99
n-methylformamide	526.36
2-pentanol	274.49
n-pentane	26.88
1-propoxy-2-propanol	364.41
1-methoxy-2-propyl acetate	420.8
2-(2-methoxypropoxy) propanol	318.47
mesitylene	123.07
ε-caprolactone	653.72
p-cymene	97.18
epichlorohydrin	1403.6
1,1,1-trichloroethane	989.4
2-aminoethanol	236.2
morpholine-4-carbaldehyde	707.06
sulfolane	1066.86
2,2,4-trimethylpentane	23.09
2-methyltetrahydrofuran	616.56
n-hexyl acetate	350.64
isooctane	18.83
2-(2-butoxyethoxy)ethanol	449.66
sec-butyl acetate	330.38
tert-butyl acetate	386.29
decalin	47.08
glycerin	186.46
diglyme	866.44
acrylic acid	327.03
isopropyl myristate	127.55
n-butyric acid	586.17
acetyl acetate	435.45
di(2-ethylhexyl) phthalate	127.87
ethyl propionate	428.11
nitromethane	1106.54
1,2-diethoxyethane	657.49
benzonitrile	456.49
trioctyl phosphate	85.35
1-bromopropane	842.23
gamma-valerolactone	942.18
n-decanol	83.63
triethyl phosphate	151.86
4-methyl-2-pentanol	149.7
propionitrile	549.03
vinylene carbonate	501.07
1,1,2-trichlorotrifluoroethane	728.73
DMS	345.68
cumene	130.39
2-octanol	86.22
2-hexanone	524.81
octyl acetate	161.75
limonene	140.7
1,2-dimethoxyethane	816.87
ethyl orthosilicate	144.09
tributyl phosphate	122.19
diacetone alcohol	382.22
N,N-dimethylaniline	274.89
acrylonitrile	697.06
aniline	431.15
1,3-propanediol	325.61
bromobenzene	702.55
dibromomethane	1605.86
1,1,2,2-tetrachloroethane	2200.33
2-methyl-cyclohexyl acetate	247.17
tetrabutyl urea	165.08
diisobutyl methanol	104.98
2-phenylethanol	287.41
styrene	342.32
dioctyl adipate	199.43
dimethyl sulfate	389.64
ethyl butyrate	365.24
methyl lactate	216.77
butyl lactate	213.23
diethyl carbonate	249.08
propanediol butyl ether	256.47
triethyl orthoformate	216.26
p-tert-butyltoluene	88.53
methyl 4-tert-butylbenzoate	254.63
morpholine	1033.7
tert-butylamine	243.06
n-dodecanol	65.23
dimethoxymethane	755.09
ethylene carbonate	407.07
cyrene	254.98
2-ethoxyethyl acetate	401.23
2-ethylhexyl acetate	334.83
1,2,4-trichlorobenzene	609.59
4-methylpyridine	907.26
dibutyl ether	241.61
2,6-dimethyl-4-heptanol	104.98
DEF	729.61
dimethyl isosorbide	460.81
tetrachloroethylene	1145.84
eugenol	287.03
triacetin	345.25
span 80	246.16
1,4-butanediol	155.52
1,1-dichloroethane	1371.17
2-methyl-1-pentanol	321.09
methyl formate	369.64
2-methyl-1-butanol	352.36
n-decane	18.0
butyronitrile	554.92
3,7-dimethyl-1-octanol	141.96
1-chlorooctane	112.2
1-chlorotetradecane	43.71
n-nonane	16.75
undecane	14.21
tert-butylcyclohexane	40.76
cyclooctane	16.78
cyclopentanol	282.25
tetrahydropyran	865.53
tert-amyl methyl ether	321.66
2,5,8-trioxanonane	570.4
1-hexene	273.33
2-isopropoxyethanol	370.42
2,2,2-trifluoroethanol	141.74
methyl butyrate	622.19

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