Molecular formula
C11H12O2

SMILES
CC=CCOC(=O)C1=CC=CC=C1

Fragrance
Balsamic	72.91%
Floral	70.7%
Fruity	65.98%
Sweet	64.38%
Herbal	60.37%
Green	55.72%
Spicy	47.6%
Woody	44.93%
Cherry	36.78%
Anisic	35.61%

 

Flavor
Balsam	59.6%
Sweet	42.89%
Floral	39.72%
Fruity	36.9%
Spicy	31.2%
Cinnamon	29.68%
Cherry	29.32%
Chocolate	28.98%
Balsamic	28.23%
Almond	27.83%

 

Odor impact est.
Medium

XLogP3-AA
2.6

pKa est.
6.51 (neutral)

Molecular weight
176.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
253°C

Flash point

• 114.35 ˚C est.

• QYOVCBKZFRCMCG-UHFFFAOYSA-N

But-2-enyl benzoate is primarily used as a fragrance ingredient and odorant with fixative properties in perfumery and cosmetics; it is also a valuable intermediate in the synthesis of specialty aroma esters for coatings, inks, and plastics, and may appear in household and personal care products as a fragrance component.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1072.85
methanol	1091.59
isopropanol	652.05
water	0.36
ethyl acetate	1507.12
n-propanol	856.37
acetone	1915.8
n-butanol	897.93
acetonitrile	1905.39
DMF	2424.34
toluene	717.63
isobutanol	732.88
1,4-dioxane	1426.56
methyl acetate	1395.38
THF	1284.16
2-butanone	1681.9
n-pentanol	508.29
sec-butanol	879.63
n-hexane	100.79
ethylene glycol	96.08
NMP	1215.65
cyclohexane	193.59
DMSO	1383.89
n-butyl acetate	911.65
n-octanol	272.67
chloroform	3268.06
n-propyl acetate	868.22
acetic acid	1062.92
dichloromethane	3340.74
cyclohexanone	1670.76
propylene glycol	169.42
isopropyl acetate	672.72
DMAc	1725.83
2-ethoxyethanol	606.32
isopentanol	702.58
n-heptane	45.32
ethyl formate	749.52
1,2-dichloroethane	2660.65
n-hexanol	516.08
2-methoxyethanol	1038.48
isobutyl acetate	448.88
tetrachloromethane	194.25
n-pentyl acetate	407.08
transcutol	2809.08
n-heptanol	227.81
ethylbenzene	391.73
MIBK	595.45
2-propoxyethanol	648.29
tert-butanol	823.28
MTBE	875.61
2-butoxyethanol	374.76
propionic acid	722.08
o-xylene	321.63
formic acid	219.95
diethyl ether	1432.44
m-xylene	336.62
p-xylene	428.16
chlorobenzene	1151.46
dimethyl carbonate	430.66
n-octane	26.18
formamide	602.57
cyclopentanone	1609.88
2-pentanone	1233.39
anisole	810.96
cyclopentyl methyl ether	704.22
gamma-butyrolactone	1579.24
1-methoxy-2-propanol	740.54
pyridine	2152.3
3-pentanone	924.66
furfural	1296.3
n-dodecane	26.14
diethylene glycol	382.77
diisopropyl ether	260.14
tert-amyl alcohol	834.45
acetylacetone	1031.85
n-hexadecane	30.75
acetophenone	714.11
methyl propionate	1093.82
isopentyl acetate	698.78
trichloroethylene	4532.15
n-nonanol	233.18
cyclohexanol	721.55
benzyl alcohol	502.21
2-ethylhexanol	299.68
isooctanol	191.13
dipropyl ether	348.67
1,2-dichlorobenzene	870.11
ethyl lactate	265.07
propylene carbonate	903.35
n-methylformamide	969.56
2-pentanol	627.53
n-pentane	83.99
1-propoxy-2-propanol	464.96
1-methoxy-2-propyl acetate	558.1
2-(2-methoxypropoxy) propanol	421.52
mesitylene	191.06
ε-caprolactone	1211.71
p-cymene	145.71
epichlorohydrin	2185.02
1,1,1-trichloroethane	1697.14
2-aminoethanol	297.49
morpholine-4-carbaldehyde	1075.61
sulfolane	1353.56
2,2,4-trimethylpentane	48.07
2-methyltetrahydrofuran	1088.94
n-hexyl acetate	634.66
isooctane	39.54
2-(2-butoxyethoxy)ethanol	640.65
sec-butyl acetate	523.32
tert-butyl acetate	623.95
decalin	86.73
glycerin	201.63
diglyme	1219.09
acrylic acid	645.43
isopropyl myristate	213.46
n-butyric acid	1127.1
acetyl acetate	720.41
di(2-ethylhexyl) phthalate	166.14
ethyl propionate	719.63
nitromethane	2220.26
1,2-diethoxyethane	857.98
benzonitrile	919.82
trioctyl phosphate	126.04
1-bromopropane	1336.93
gamma-valerolactone	1527.0
n-decanol	167.0
triethyl phosphate	208.56
4-methyl-2-pentanol	287.32
propionitrile	1336.11
vinylene carbonate	924.22
1,1,2-trichlorotrifluoroethane	1018.45
DMS	518.58
cumene	208.27
2-octanol	186.67
2-hexanone	819.07
octyl acetate	276.4
limonene	213.32
1,2-dimethoxyethane	1225.5
ethyl orthosilicate	190.75
tributyl phosphate	185.33
diacetone alcohol	600.5
N,N-dimethylaniline	388.84
acrylonitrile	1749.69
aniline	761.76
1,3-propanediol	492.04
bromobenzene	1232.51
dibromomethane	2165.55
1,1,2,2-tetrachloroethane	3159.92
2-methyl-cyclohexyl acetate	343.3
tetrabutyl urea	243.83
diisobutyl methanol	170.68
2-phenylethanol	431.14
styrene	612.05
dioctyl adipate	296.41
dimethyl sulfate	532.31
ethyl butyrate	564.68
methyl lactate	324.49
butyl lactate	287.09
diethyl carbonate	409.2
propanediol butyl ether	370.29
triethyl orthoformate	305.82
p-tert-butyltoluene	132.54
methyl 4-tert-butylbenzoate	365.09
morpholine	1682.93
tert-butylamine	530.17
n-dodecanol	121.9
dimethoxymethane	1061.98
ethylene carbonate	724.46
cyrene	319.64
2-ethoxyethyl acetate	585.56
2-ethylhexyl acetate	512.7
1,2,4-trichlorobenzene	892.5
4-methylpyridine	1890.33
dibutyl ether	428.6
2,6-dimethyl-4-heptanol	170.68
DEF	1504.87
dimethyl isosorbide	590.66
tetrachloroethylene	1603.76
eugenol	397.86
triacetin	463.26
span 80	323.42
1,4-butanediol	158.39
1,1-dichloroethane	2359.3
2-methyl-1-pentanol	507.75
methyl formate	657.08
2-methyl-1-butanol	786.43
n-decane	42.09
butyronitrile	1296.26
3,7-dimethyl-1-octanol	265.22
1-chlorooctane	226.51
1-chlorotetradecane	82.96
n-nonane	39.65
undecane	32.34
tert-butylcyclohexane	72.05
cyclooctane	47.79
cyclopentanol	511.06
tetrahydropyran	1607.56
tert-amyl methyl ether	630.04
2,5,8-trioxanonane	762.82
1-hexene	488.85
2-isopropoxyethanol	416.95
2,2,2-trifluoroethanol	265.52
methyl butyrate	1061.94

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