Molecular formula
C12H12O2

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

Fragrance
Herbal	50.44%
Fruity	48.69%
Sweet	45.76%
Green	43.94%
Spicy	43.38%
Floral	39.92%
Balsamic	37.89%
Mint	32.34%
Warm	31.24%
Pungent	28.05%

 

Flavor
Fruity	33.75%
Balsam	22.25%
Nutty	21.45%
Orange flower	21.4%
Broom	20.62%
Genet	20.52%
Oily	20.42%
Bread crust	20.39%
Heather	20.35%
Roasted peanuts	20.3%

 

Odor impact est.
Medium

XLogP3-AA
3.5

pKa est.
6.43 (neutral)

Molecular weight
188.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
266°C

Flash point

• 117.42 ˚C est.

• LSTOFPNFEYBVLB-UHFFFAOYSA-N
• 2-Methylene-3-butenyl benzoate #
• Benzoic acid, 2-methylene-3-butenyl ester

Benzoic acid, 2-methylene-3-butenyl ester (prenyl benzoate) is used primarily as a fragrance ingredient and fixative in perfumery, helping to impart or stabilize woody and resinous notes and to extend scent life in formulations. It also appears in cosmetic and personal care products as a fragrance component. In household products such as air fresheners and cleaners, it serves as a fragrance additive. Additionally, it functions as a chemical intermediate in fragrance synthesis and related aroma chemistry, and may be used as a fragrance additive in coatings or inks. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	239.2
methanol	265.77
isopropanol	121.3
water	0.12
ethyl acetate	591.82
n-propanol	200.31
acetone	187.28
n-butanol	196.08
acetonitrile	379.01
DMF	237.82
toluene	287.29
isobutanol	132.15
1,4-dioxane	474.76
methyl acetate	482.64
THF	374.39
2-butanone	442.94
n-pentanol	154.93
sec-butanol	228.28
n-hexane	16.53
ethylene glycol	19.73
NMP	134.65
cyclohexane	25.45
DMSO	133.76
n-butyl acetate	324.41
n-octanol	87.44
chloroform	648.81
n-propyl acetate	304.06
acetic acid	218.47
dichloromethane	571.13
cyclohexanone	308.76
propylene glycol	41.33
isopropyl acetate	271.05
DMAc	445.88
2-ethoxyethanol	235.74
isopentanol	206.41
n-heptane	11.27
ethyl formate	175.57
1,2-dichloroethane	514.49
n-hexanol	174.32
2-methoxyethanol	304.53
isobutyl acetate	182.86
tetrachloromethane	30.55
n-pentyl acetate	142.8
transcutol	1392.1
n-heptanol	83.64
ethylbenzene	191.3
MIBK	214.56
2-propoxyethanol	246.29
tert-butanol	197.56
MTBE	322.3
2-butoxyethanol	162.33
propionic acid	166.16
o-xylene	144.55
formic acid	56.2
diethyl ether	451.17
m-xylene	146.63
p-xylene	182.79
chlorobenzene	257.28
dimethyl carbonate	122.21
n-octane	7.7
formamide	143.1
cyclopentanone	245.95
2-pentanone	313.63
anisole	364.44
cyclopentyl methyl ether	186.71
gamma-butyrolactone	296.36
1-methoxy-2-propanol	232.32
pyridine	658.19
3-pentanone	277.01
furfural	340.47
n-dodecane	8.03
diethylene glycol	133.7
diisopropyl ether	93.05
tert-amyl alcohol	280.88
acetylacetone	288.67
n-hexadecane	9.21
acetophenone	296.01
methyl propionate	324.29
isopentyl acetate	295.38
trichloroethylene	932.77
n-nonanol	84.78
cyclohexanol	135.56
benzyl alcohol	190.56
2-ethylhexanol	122.08
isooctanol	81.02
dipropyl ether	131.52
1,2-dichlorobenzene	219.6
ethyl lactate	91.86
propylene carbonate	212.85
n-methylformamide	150.34
2-pentanol	161.76
n-pentane	13.22
1-propoxy-2-propanol	182.06
1-methoxy-2-propyl acetate	256.29
2-(2-methoxypropoxy) propanol	227.63
mesitylene	80.82
ε-caprolactone	317.63
p-cymene	72.31
epichlorohydrin	558.01
1,1,1-trichloroethane	323.8
2-aminoethanol	68.66
morpholine-4-carbaldehyde	265.4
sulfolane	192.85
2,2,4-trimethylpentane	15.49
2-methyltetrahydrofuran	311.9
n-hexyl acetate	216.41
isooctane	12.2
2-(2-butoxyethoxy)ethanol	328.93
sec-butyl acetate	244.56
tert-butyl acetate	262.76
decalin	27.15
glycerin	53.46
diglyme	634.15
acrylic acid	126.96
isopropyl myristate	86.43
n-butyric acid	256.71
acetyl acetate	269.45
di(2-ethylhexyl) phthalate	71.26
ethyl propionate	281.18
nitromethane	440.26
1,2-diethoxyethane	404.55
benzonitrile	265.44
trioctyl phosphate	45.87
1-bromopropane	285.16
gamma-valerolactone	350.32
n-decanol	62.18
triethyl phosphate	88.05
4-methyl-2-pentanol	109.47
propionitrile	337.73
vinylene carbonate	222.6
1,1,2-trichlorotrifluoroethane	241.8
DMS	193.45
cumene	106.15
2-octanol	60.27
2-hexanone	281.85
octyl acetate	105.56
limonene	95.37
1,2-dimethoxyethane	478.12
ethyl orthosilicate	86.41
tributyl phosphate	70.53
diacetone alcohol	250.67
N,N-dimethylaniline	180.24
acrylonitrile	402.68
aniline	208.54
1,3-propanediol	130.3
bromobenzene	273.55
dibromomethane	387.41
1,1,2,2-tetrachloroethane	660.26
2-methyl-cyclohexyl acetate	161.72
tetrabutyl urea	91.43
diisobutyl methanol	79.82
2-phenylethanol	191.98
styrene	251.45
dioctyl adipate	128.19
dimethyl sulfate	120.88
ethyl butyrate	241.21
methyl lactate	93.96
butyl lactate	105.9
diethyl carbonate	172.34
propanediol butyl ether	137.17
triethyl orthoformate	139.97
p-tert-butyltoluene	65.17
methyl 4-tert-butylbenzoate	171.06
morpholine	508.54
tert-butylamine	125.63
n-dodecanol	47.18
dimethoxymethane	278.66
ethylene carbonate	163.77
cyrene	122.24
2-ethoxyethyl acetate	242.01
2-ethylhexyl acetate	229.09
1,2,4-trichlorobenzene	234.94
4-methylpyridine	519.79
dibutyl ether	166.83
2,6-dimethyl-4-heptanol	79.82
DEF	348.6
dimethyl isosorbide	309.66
tetrachloroethylene	341.39
eugenol	183.66
triacetin	198.49
span 80	144.65
1,4-butanediol	42.71
1,1-dichloroethane	398.18
2-methyl-1-pentanol	200.75
methyl formate	109.81
2-methyl-1-butanol	197.44
n-decane	12.73
butyronitrile	300.01
3,7-dimethyl-1-octanol	118.95
1-chlorooctane	72.54
1-chlorotetradecane	28.41
n-nonane	11.01
undecane	9.78
tert-butylcyclohexane	25.31
cyclooctane	9.22
cyclopentanol	79.62
tetrahydropyran	423.54
tert-amyl methyl ether	261.73
2,5,8-trioxanonane	420.65
1-hexene	124.67
2-isopropoxyethanol	172.54
2,2,2-trifluoroethanol	54.15
methyl butyrate	351.68

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