Molecular formula
C13H16O2

SMILES
CCCCOC(=O)C=CC1=CC=CC=C1

Fragrance
Balsamic	87.21%
Sweet	82.85%
Fruity	74.91%
Spicy	61.91%
Cinnamon	55.91%
Floral	54.38%
Honey	44.95%
Cocoa	43.66%
Amber	38.23%
Herbal	37.91%

 

Flavor
Balsam	49.32%
Floral	36.7%
Fruity	28.36%
Honey	27.47%
Chocolate	27.2%
Sweet	26.97%
Rose	23.79%
Amber	23.42%
Orchid	21.97%
Musty	20.89%

 

Odor impact est.
Medium

XLogP3-AA
3.9

pKa est.
6.64 (neutral)

Molecular weight
204.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
284°C

Flash point

• 138.46 ˚C est.

• 3-phenyl-prop-2-enoic acid butyl ester
• butyl 3-phenylprop-2-enoate
• DTXSID0060226
• NCIOpen2_003821
• OHHIVLJVBNCSHV-UHFFFAOYSA-N
• MFCD00051560
• SY317363

Butyl 3-phenylprop-2-enoate, also known as butyl cinnamate, is an aroma ester used primarily as a fragrance ingredient in perfumery and cosmetics, providing fruity and vanilla-like notes and sometimes acting as a fragrance fixative. It is also employed in household products and personal care formulations to impart scent, and may be viewed as an intermediate or building block in the synthesis of other fragrance compounds. Additionally, it may be evaluated for flavor or aroma applications in food-processing formulations under applicable regulations. These uses reflect its aroma profile and the relative stability of this cinnamate ester.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1319.58
methanol	1592.9
isopropanol	508.33
water	0.09
ethyl acetate	1793.14
n-propanol	791.16
acetone	2016.08
n-butanol	641.08
acetonitrile	1627.17
DMF	2828.42
toluene	762.57
isobutanol	477.3
1,4-dioxane	1228.54
methyl acetate	1252.5
THF	1423.06
2-butanone	1535.37
n-pentanol	409.61
sec-butanol	497.92
n-hexane	49.06
ethylene glycol	103.7
NMP	1443.83
cyclohexane	81.28
DMSO	2339.21
n-butyl acetate	809.21
n-octanol	118.94
chloroform	3210.6
n-propyl acetate	776.79
acetic acid	750.19
dichloromethane	4187.38
cyclohexanone	1516.82
propylene glycol	179.39
isopropyl acetate	734.73
DMAc	1879.24
2-ethoxyethanol	602.95
isopentanol	497.63
n-heptane	21.36
ethyl formate	601.39
1,2-dichloroethane	3205.94
n-hexanol	380.18
2-methoxyethanol	1123.6
isobutyl acetate	392.24
tetrachloromethane	161.3
n-pentyl acetate	308.3
transcutol	2719.26
n-heptanol	120.21
ethylbenzene	291.4
MIBK	551.16
2-propoxyethanol	669.42
tert-butanol	494.49
MTBE	664.46
2-butoxyethanol	293.35
propionic acid	555.97
o-xylene	278.9
formic acid	184.08
diethyl ether	1321.81
m-xylene	319.07
p-xylene	303.02
chlorobenzene	988.78
dimethyl carbonate	446.7
n-octane	9.9
formamide	525.33
cyclopentanone	1691.69
2-pentanone	1239.34
anisole	674.08
cyclopentyl methyl ether	773.38
gamma-butyrolactone	1640.03
1-methoxy-2-propanol	764.74
pyridine	2020.86
3-pentanone	932.83
furfural	1200.9
n-dodecane	10.39
diethylene glycol	421.26
diisopropyl ether	209.63
tert-amyl alcohol	452.73
acetylacetone	1217.78
n-hexadecane	12.29
acetophenone	599.04
methyl propionate	1255.2
isopentyl acetate	626.93
trichloroethylene	4932.06
n-nonanol	109.36
cyclohexanol	471.2
benzyl alcohol	434.11
2-ethylhexanol	225.05
isooctanol	105.37
dipropyl ether	309.91
1,2-dichlorobenzene	778.15
ethyl lactate	222.03
propylene carbonate	797.73
n-methylformamide	993.95
2-pentanol	386.59
n-pentane	35.35
1-propoxy-2-propanol	440.63
1-methoxy-2-propyl acetate	614.0
2-(2-methoxypropoxy) propanol	367.74
mesitylene	150.66
ε-caprolactone	1083.84
p-cymene	112.99
epichlorohydrin	2515.63
1,1,1-trichloroethane	1414.04
2-aminoethanol	312.92
morpholine-4-carbaldehyde	1068.2
sulfolane	1716.97
2,2,4-trimethylpentane	24.88
2-methyltetrahydrofuran	1113.72
n-hexyl acetate	425.28
isooctane	19.46
2-(2-butoxyethoxy)ethanol	533.17
sec-butyl acetate	465.41
tert-butyl acetate	592.09
decalin	52.31
glycerin	208.65
diglyme	1079.2
acrylic acid	473.99
isopropyl myristate	146.01
n-butyric acid	879.18
acetyl acetate	729.79
di(2-ethylhexyl) phthalate	140.63
ethyl propionate	677.36
nitromethane	1876.19
1,2-diethoxyethane	861.49
benzonitrile	666.67
trioctyl phosphate	88.19
1-bromopropane	1436.4
gamma-valerolactone	1545.38
n-decanol	80.58
triethyl phosphate	184.51
4-methyl-2-pentanol	185.61
propionitrile	949.34
vinylene carbonate	750.11
1,1,2-trichlorotrifluoroethane	1021.88
DMS	495.49
cumene	150.46
2-octanol	83.42
2-hexanone	702.77
octyl acetate	181.17
limonene	174.03
1,2-dimethoxyethane	1050.93
ethyl orthosilicate	166.92
tributyl phosphate	138.86
diacetone alcohol	546.29
N,N-dimethylaniline	350.05
acrylonitrile	1265.94
aniline	679.48
1,3-propanediol	432.16
bromobenzene	1187.54
dibromomethane	2488.56
1,1,2,2-tetrachloroethane	3431.22
2-methyl-cyclohexyl acetate	303.82
tetrabutyl urea	187.32
diisobutyl methanol	121.18
2-phenylethanol	370.88
styrene	490.89
dioctyl adipate	240.77
dimethyl sulfate	612.78
ethyl butyrate	512.82
methyl lactate	336.27
butyl lactate	232.12
diethyl carbonate	337.83
propanediol butyl ether	268.37
triethyl orthoformate	263.39
p-tert-butyltoluene	102.08
methyl 4-tert-butylbenzoate	289.29
morpholine	1758.14
tert-butylamine	294.92
n-dodecanol	61.1
dimethoxymethane	1300.88
ethylene carbonate	606.95
cyrene	291.06
2-ethoxyethyl acetate	536.93
2-ethylhexyl acetate	469.15
1,2,4-trichlorobenzene	893.4
4-methylpyridine	1816.35
dibutyl ether	289.36
2,6-dimethyl-4-heptanol	121.18
DEF	1468.07
dimethyl isosorbide	590.69
tetrachloroethylene	1718.15
eugenol	314.72
triacetin	406.64
span 80	268.54
1,4-butanediol	145.55
1,1-dichloroethane	2239.28
2-methyl-1-pentanol	386.97
methyl formate	602.66
2-methyl-1-butanol	510.82
n-decane	16.0
butyronitrile	929.45
3,7-dimethyl-1-octanol	155.33
1-chlorooctane	118.55
1-chlorotetradecane	43.53
n-nonane	14.42
undecane	12.46
tert-butylcyclohexane	41.42
cyclooctane	19.59
cyclopentanol	399.05
tetrahydropyran	1510.37
tert-amyl methyl ether	471.89
2,5,8-trioxanonane	695.98
1-hexene	334.2
2-isopropoxyethanol	414.29
2,2,2-trifluoroethanol	169.98
methyl butyrate	957.97

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