Molecular formula
C17H18O2

SMILES
CC1=C(C=C(C=C1)C(C)C)OC(=O)C2=CC=CC=C2

Fragrance
Herbal	65.84%
Balsamic	49.18%
Spicy	45.37%
Phenolic	40.05%
Fruity	39.52%
Animal	34.81%
Woody	34.38%
Floral	30.64%
Green	29.05%
Medicinal	27.63%

 

Flavor
Herbal	64.15%
Woody	48.12%
Spicy	32.06%
Bitter	29.34%
Balsam	27.04%
Warm	26.0%
Spice	24.06%
Phenolic	24.05%
Herb	23.97%
Medicinal	23.63%

 

Odor impact est.
Medium

XLogP3-AA
4.8

pKa est.
7.86 (neutral)

Molecular weight
254.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
332°C

Flash point

• 149.95 ˚C est.

• 5-isopropyl-2-methylphenyl benzoate
• (2-methyl-5-propan-2-ylphenyl) benzoate
• SCHEMBL249602
• RJHHOBBLJXRSDO-UHFFFAOYSA-N
• 2-methyl-5-isopropyl-phenyl benzoate
• AN-652/41418521

5-Isopropyl-2-methylphenyl benzoate is commonly used as an aroma ingredient and fragrance fixative in industrial fragrance formulations; in cosmetics and personal care it can function as a fragrance component or fragrance additive in products such as creams, lotions, and hair oils; in household products like air fresheners and cleaners it is used to impart or balance scent; in coatings and paints it may be added as a fragrance additive; and in fragrance synthesis workflows it can serve as an intermediate or precursor for other aromatic compounds; use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	657.42
methanol	587.04
isopropanol	310.98
water	0.05
ethyl acetate	1525.03
n-propanol	708.72
acetone	690.01
n-butanol	627.23
acetonitrile	739.18
DMF	1657.7
toluene	1416.96
isobutanol	416.11
1,4-dioxane	1108.62
methyl acetate	1266.61
THF	1123.9
2-butanone	1740.37
n-pentanol	386.48
sec-butanol	585.97
n-hexane	42.62
ethylene glycol	21.0
NMP	859.98
cyclohexane	64.36
DMSO	432.27
n-butyl acetate	875.4
n-octanol	105.96
chloroform	2867.04
n-propyl acetate	696.98
acetic acid	251.3
dichloromethane	3147.07
cyclohexanone	1417.19
propylene glycol	66.32
isopropyl acetate	672.91
DMAc	1981.99
2-ethoxyethanol	450.13
isopentanol	484.54
n-heptane	17.34
ethyl formate	446.9
1,2-dichloroethane	2491.99
n-hexanol	398.79
2-methoxyethanol	707.57
isobutyl acetate	409.22
tetrachloromethane	118.16
n-pentyl acetate	336.56
transcutol	1508.6
n-heptanol	142.62
ethylbenzene	578.59
MIBK	518.06
2-propoxyethanol	639.82
tert-butanol	302.57
MTBE	765.77
2-butoxyethanol	303.88
propionic acid	333.38
o-xylene	498.2
formic acid	59.42
diethyl ether	1366.54
m-xylene	502.14
p-xylene	542.71
chlorobenzene	1274.05
dimethyl carbonate	320.12
n-octane	9.16
formamide	236.14
cyclopentanone	1172.5
2-pentanone	1132.4
anisole	1027.97
cyclopentyl methyl ether	643.04
gamma-butyrolactone	975.87
1-methoxy-2-propanol	514.58
pyridine	2381.0
3-pentanone	1071.66
furfural	944.47
n-dodecane	8.3
diethylene glycol	217.62
diisopropyl ether	203.75
tert-amyl alcohol	418.16
acetylacetone	752.4
n-hexadecane	10.16
acetophenone	736.45
methyl propionate	1112.83
isopentyl acetate	715.21
trichloroethylene	4064.9
n-nonanol	109.68
cyclohexanol	406.79
benzyl alcohol	545.71
2-ethylhexanol	220.02
isooctanol	128.63
dipropyl ether	293.93
1,2-dichlorobenzene	904.57
ethyl lactate	171.03
propylene carbonate	551.77
n-methylformamide	611.64
2-pentanol	367.91
n-pentane	32.23
1-propoxy-2-propanol	380.83
1-methoxy-2-propyl acetate	670.67
2-(2-methoxypropoxy) propanol	300.07
mesitylene	197.69
ε-caprolactone	1121.41
p-cymene	131.73
epichlorohydrin	2265.02
1,1,1-trichloroethane	1168.85
2-aminoethanol	125.16
morpholine-4-carbaldehyde	875.77
sulfolane	671.08
2,2,4-trimethylpentane	25.65
2-methyltetrahydrofuran	1095.55
n-hexyl acetate	412.28
isooctane	16.95
2-(2-butoxyethoxy)ethanol	448.92
sec-butyl acetate	540.86
tert-butyl acetate	559.95
decalin	47.25
glycerin	66.37
diglyme	946.07
acrylic acid	237.4
isopropyl myristate	136.94
n-butyric acid	593.51
acetyl acetate	474.05
di(2-ethylhexyl) phthalate	116.77
ethyl propionate	703.43
nitromethane	726.3
1,2-diethoxyethane	771.37
benzonitrile	741.28
trioctyl phosphate	71.42
1-bromopropane	1442.9
gamma-valerolactone	1452.11
n-decanol	78.08
triethyl phosphate	153.88
4-methyl-2-pentanol	173.39
propionitrile	885.91
vinylene carbonate	584.72
1,1,2-trichlorotrifluoroethane	632.28
DMS	437.55
cumene	217.78
2-octanol	97.31
2-hexanone	795.25
octyl acetate	176.36
limonene	192.0
1,2-dimethoxyethane	1028.45
ethyl orthosilicate	149.8
tributyl phosphate	108.41
diacetone alcohol	468.74
N,N-dimethylaniline	440.27
acrylonitrile	1058.36
aniline	883.84
1,3-propanediol	234.96
bromobenzene	1445.91
dibromomethane	1991.31
1,1,2,2-tetrachloroethane	2836.49
2-methyl-cyclohexyl acetate	298.18
tetrabutyl urea	141.18
diisobutyl methanol	105.64
2-phenylethanol	498.16
styrene	833.03
dioctyl adipate	200.6
dimethyl sulfate	293.34
ethyl butyrate	534.56
methyl lactate	209.43
butyl lactate	192.76
diethyl carbonate	314.84
propanediol butyl ether	186.74
triethyl orthoformate	260.56
p-tert-butyltoluene	118.32
methyl 4-tert-butylbenzoate	283.66
morpholine	1670.4
tert-butylamine	197.47
n-dodecanol	58.52
dimethoxymethane	957.19
ethylene carbonate	464.72
cyrene	241.3
2-ethoxyethyl acetate	559.11
2-ethylhexyl acetate	553.83
1,2,4-trichlorobenzene	881.55
4-methylpyridine	2374.29
dibutyl ether	256.31
2,6-dimethyl-4-heptanol	105.64
DEF	1436.43
dimethyl isosorbide	497.35
tetrachloroethylene	1261.93
eugenol	294.88
triacetin	297.38
span 80	200.54
1,4-butanediol	79.08
1,1-dichloroethane	1818.74
2-methyl-1-pentanol	422.15
methyl formate	324.09
2-methyl-1-butanol	596.84
n-decane	13.94
butyronitrile	865.12
3,7-dimethyl-1-octanol	154.49
1-chlorooctane	114.63
1-chlorotetradecane	39.3
n-nonane	11.77
undecane	10.48
tert-butylcyclohexane	41.14
cyclooctane	19.85
cyclopentanol	274.33
tetrahydropyran	1531.95
tert-amyl methyl ether	612.39
2,5,8-trioxanonane	541.96
1-hexene	345.2
2-isopropoxyethanol	344.32
2,2,2-trifluoroethanol	69.89
methyl butyrate	922.61

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