Molecular formula
C12H12O2

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

Fragrance
Sweet	72.86%
Floral	67.22%
Balsamic	59.67%
Spicy	48.92%
Herbal	46.94%
Cinnamon	40.22%
Fruity	39.91%
Warm	35.17%
Cherry	34.75%
Green	34.67%

 

Flavor
Balsam	29.14%
Honey	26.63%
Sweet	26.46%
Cinnamon	21.52%
Balsamic	21.48%
Licorice	21.2%
Fruity	20.87%
Odorless	20.67%
Basil	20.28%
Genet	20.27%

 

Odor impact est.
Medium

XLogP3-AA
3.5

pKa est.
6.6 (neutral)

Molecular weight
188.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
288°C

Flash point

• 113.35 ˚C est.

• isoprenyl benzoate

Isoprenyl benzoate is used as an aroma chemical and fragrance ingredient, providing fruity and balsamic notes and acting as a fixative in perfumery. It is also incorporated into cosmetic and personal care formulations as a scent component, and into household cleaning products to impart fragrance. Additionally, it may serve as an intermediate in the synthesis of other fragrance compounds.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	783.13
methanol	676.38
isopropanol	474.54
water	0.06
ethyl acetate	1019.21
n-propanol	625.1
acetone	1125.79
n-butanol	580.58
acetonitrile	865.07
DMF	1593.6
toluene	347.34
isobutanol	431.86
1,4-dioxane	929.89
methyl acetate	938.32
THF	1395.99
2-butanone	1339.07
n-pentanol	353.8
sec-butanol	630.86
n-hexane	34.08
ethylene glycol	43.19
NMP	844.93
cyclohexane	42.58
DMSO	709.58
n-butyl acetate	539.38
n-octanol	125.1
chloroform	1132.17
n-propyl acetate	521.52
acetic acid	532.54
dichloromethane	1052.68
cyclohexanone	1089.06
propylene glycol	125.4
isopropyl acetate	512.47
DMAc	1285.68
2-ethoxyethanol	410.56
isopentanol	466.34
n-heptane	17.57
ethyl formate	379.46
1,2-dichloroethane	1014.56
n-hexanol	354.01
2-methoxyethanol	839.83
isobutyl acetate	281.89
tetrachloromethane	39.63
n-pentyl acetate	218.61
transcutol	2063.29
n-heptanol	121.28
ethylbenzene	194.08
MIBK	477.58
2-propoxyethanol	531.66
tert-butanol	458.53
MTBE	540.15
2-butoxyethanol	255.08
propionic acid	390.98
o-xylene	158.99
formic acid	105.8
diethyl ether	831.89
m-xylene	188.63
p-xylene	222.76
chlorobenzene	463.97
dimethyl carbonate	263.54
n-octane	8.66
formamide	304.26
cyclopentanone	1203.41
2-pentanone	955.14
anisole	501.75
cyclopentyl methyl ether	599.51
gamma-butyrolactone	1104.5
1-methoxy-2-propanol	683.13
pyridine	1255.29
3-pentanone	668.58
furfural	744.29
n-dodecane	9.56
diethylene glycol	294.9
diisopropyl ether	163.62
tert-amyl alcohol	525.24
acetylacetone	772.14
n-hexadecane	11.18
acetophenone	439.3
methyl propionate	779.78
isopentyl acetate	462.35
trichloroethylene	1825.09
n-nonanol	117.42
cyclohexanol	385.2
benzyl alcohol	313.83
2-ethylhexanol	196.31
isooctanol	112.35
dipropyl ether	222.73
1,2-dichlorobenzene	353.36
ethyl lactate	183.8
propylene carbonate	562.15
n-methylformamide	555.61
2-pentanol	431.5
n-pentane	26.62
1-propoxy-2-propanol	387.11
1-methoxy-2-propyl acetate	475.67
2-(2-methoxypropoxy) propanol	345.37
mesitylene	100.63
ε-caprolactone	833.53
p-cymene	82.2
epichlorohydrin	1496.68
1,1,1-trichloroethane	600.45
2-aminoethanol	180.81
morpholine-4-carbaldehyde	812.08
sulfolane	877.52
2,2,4-trimethylpentane	22.37
2-methyltetrahydrofuran	1085.42
n-hexyl acetate	356.21
isooctane	19.27
2-(2-butoxyethoxy)ethanol	506.39
sec-butyl acetate	366.16
tert-butyl acetate	488.07
decalin	37.51
glycerin	137.04
diglyme	858.97
acrylic acid	304.47
isopropyl myristate	127.66
n-butyric acid	618.77
acetyl acetate	398.24
di(2-ethylhexyl) phthalate	111.34
ethyl propionate	473.95
nitromethane	1219.09
1,2-diethoxyethane	519.59
benzonitrile	429.75
trioctyl phosphate	73.04
1-bromopropane	568.04
gamma-valerolactone	1196.51
n-decanol	86.27
triethyl phosphate	137.23
4-methyl-2-pentanol	208.57
propionitrile	668.58
vinylene carbonate	492.84
1,1,2-trichlorotrifluoroethane	576.66
DMS	338.51
cumene	113.16
2-octanol	91.63
2-hexanone	575.26
octyl acetate	160.06
limonene	136.13
1,2-dimethoxyethane	811.05
ethyl orthosilicate	125.56
tributyl phosphate	114.66
diacetone alcohol	536.99
N,N-dimethylaniline	255.04
acrylonitrile	791.18
aniline	396.25
1,3-propanediol	328.61
bromobenzene	457.62
dibromomethane	686.22
1,1,2,2-tetrachloroethane	1399.43
2-methyl-cyclohexyl acetate	241.07
tetrabutyl urea	145.74
diisobutyl methanol	109.41
2-phenylethanol	280.54
styrene	281.71
dioctyl adipate	198.39
dimethyl sulfate	315.58
ethyl butyrate	354.35
methyl lactate	249.05
butyl lactate	183.02
diethyl carbonate	239.64
propanediol butyl ether	248.75
triethyl orthoformate	201.71
p-tert-butyltoluene	80.04
methyl 4-tert-butylbenzoate	239.9
morpholine	1328.59
tert-butylamine	260.04
n-dodecanol	63.67
dimethoxymethane	773.28
ethylene carbonate	387.66
cyrene	247.15
2-ethoxyethyl acetate	349.62
2-ethylhexyl acetate	340.19
1,2,4-trichlorobenzene	401.82
4-methylpyridine	1114.11
dibutyl ether	231.41
2,6-dimethyl-4-heptanol	109.41
DEF	928.81
dimethyl isosorbide	536.59
tetrachloroethylene	573.42
eugenol	250.23
triacetin	310.25
span 80	247.61
1,4-butanediol	90.32
1,1-dichloroethane	875.6
2-methyl-1-pentanol	368.3
methyl formate	369.28
2-methyl-1-butanol	503.12
n-decane	14.74
butyronitrile	641.47
3,7-dimethyl-1-octanol	163.48
1-chlorooctane	98.05
1-chlorotetradecane	37.9
n-nonane	13.24
undecane	11.61
tert-butylcyclohexane	35.53
cyclooctane	13.3
cyclopentanol	348.16
tetrahydropyran	1166.5
tert-amyl methyl ether	438.76
2,5,8-trioxanonane	567.01
1-hexene	237.96
2-isopropoxyethanol	299.92
2,2,2-trifluoroethanol	102.02
methyl butyrate	637.57

Scent© AI