Molecular formula
C11H14O2

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

Fragrance
Herbal	76.6%
Spicy	62.8%
Green	59.19%
Woody	53.49%
Phenolic	39.43%
Fruity	33.76%
Leafy	33.11%
Mint	33.04%
Fresh	32.65%
Earthy	32.01%

 

Flavor
Herbal	66.8%
Woody	59.99%
Spicy	56.85%
Spice	44.55%
Warm	29.51%
Green	29.39%
Floral	29.26%
Camphor	26.46%
Medicinal	26.28%
Musty	25.98%

 

Odor impact est.
Medium

XLogP3-AA
3.2

pKa est.
8.19 (weak base)

Molecular weight
178.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
233°C

Flash point

• 99.06 ˚C est.

• SCHEMBL18256093
• DTXSID601019915
• 5-Isopropyl-2-methylphenol formate

5-Isopropyl-2-methylphenol formate is used primarily as an odorant and fragrance ingredient in perfumery, contributing a spicy, herbaceous note; in cosmetics and personal care products it serves as a fragrance component to impart aroma; in household cleaning products and air fresheners it functions as a scent additive; in industrial manufacturing it is evaluated as an intermediate for synthesizing thymol-derived aroma compounds and related fragrance materials; in coatings and inks it may be employed in small amounts as a fragrance additive to impart characteristic notes in decorative finishes and packaging applications.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	524.35
methanol	482.22
isopropanol	343.09
water	0.15
ethyl acetate	700.01
n-propanol	458.46
acetone	784.8
n-butanol	363.44
acetonitrile	773.13
DMF	1376.37
toluene	405.64
isobutanol	279.13
1,4-dioxane	922.21
methyl acetate	832.29
THF	988.84
2-butanone	1018.99
n-pentanol	247.4
sec-butanol	320.89
n-hexane	15.04
ethylene glycol	61.46
NMP	753.01
cyclohexane	31.43
DMSO	791.5
n-butyl acetate	503.27
n-octanol	79.78
chloroform	1617.59
n-propyl acetate	370.08
acetic acid	254.19
dichloromethane	1838.5
cyclohexanone	880.88
propylene glycol	101.37
isopropyl acetate	257.83
DMAc	774.75
2-ethoxyethanol	330.75
isopentanol	278.31
n-heptane	10.03
ethyl formate	468.39
1,2-dichloroethane	1248.37
n-hexanol	307.14
2-methoxyethanol	578.5
isobutyl acetate	186.16
tetrachloromethane	141.18
n-pentyl acetate	163.5
transcutol	646.02
n-heptanol	94.42
ethylbenzene	183.27
MIBK	237.83
2-propoxyethanol	442.58
tert-butanol	361.21
MTBE	354.15
2-butoxyethanol	196.35
propionic acid	318.61
o-xylene	197.36
formic acid	88.02
diethyl ether	442.37
m-xylene	200.75
p-xylene	224.65
chlorobenzene	540.25
dimethyl carbonate	187.32
n-octane	4.67
formamide	271.87
cyclopentanone	1025.34
2-pentanone	573.84
anisole	387.98
cyclopentyl methyl ether	379.88
gamma-butyrolactone	1058.87
1-methoxy-2-propanol	361.55
pyridine	1097.73
3-pentanone	446.54
furfural	836.3
n-dodecane	4.32
diethylene glycol	232.93
diisopropyl ether	69.41
tert-amyl alcohol	298.8
acetylacetone	421.46
n-hexadecane	5.29
acetophenone	327.6
methyl propionate	566.83
isopentyl acetate	362.97
trichloroethylene	2091.17
n-nonanol	71.43
cyclohexanol	258.47
benzyl alcohol	300.05
2-ethylhexanol	145.47
isooctanol	75.13
dipropyl ether	145.67
1,2-dichlorobenzene	372.57
ethyl lactate	128.48
propylene carbonate	517.89
n-methylformamide	722.21
2-pentanol	203.95
n-pentane	14.15
1-propoxy-2-propanol	271.96
1-methoxy-2-propyl acetate	330.95
2-(2-methoxypropoxy) propanol	165.35
mesitylene	92.89
ε-caprolactone	659.4
p-cymene	80.26
epichlorohydrin	1502.26
1,1,1-trichloroethane	741.2
2-aminoethanol	172.64
morpholine-4-carbaldehyde	702.78
sulfolane	851.92
2,2,4-trimethylpentane	11.09
2-methyltetrahydrofuran	784.36
n-hexyl acetate	221.57
isooctane	8.09
2-(2-butoxyethoxy)ethanol	228.12
sec-butyl acetate	213.5
tert-butyl acetate	241.91
decalin	20.82
glycerin	107.6
diglyme	485.35
acrylic acid	252.53
isopropyl myristate	68.1
n-butyric acid	405.52
acetyl acetate	239.51
di(2-ethylhexyl) phthalate	79.28
ethyl propionate	311.91
nitromethane	720.83
1,2-diethoxyethane	274.53
benzonitrile	431.78
trioctyl phosphate	51.71
1-bromopropane	552.89
gamma-valerolactone	1051.36
n-decanol	53.3
triethyl phosphate	89.63
4-methyl-2-pentanol	101.16
propionitrile	624.18
vinylene carbonate	482.69
1,1,2-trichlorotrifluoroethane	550.22
DMS	214.79
cumene	96.21
2-octanol	59.54
2-hexanone	383.04
octyl acetate	95.35
limonene	108.9
1,2-dimethoxyethane	639.77
ethyl orthosilicate	82.51
tributyl phosphate	68.37
diacetone alcohol	290.16
N,N-dimethylaniline	197.19
acrylonitrile	810.04
aniline	438.73
1,3-propanediol	244.51
bromobenzene	560.21
dibromomethane	1098.69
1,1,2,2-tetrachloroethane	1370.41
2-methyl-cyclohexyl acetate	166.64
tetrabutyl urea	94.08
diisobutyl methanol	71.06
2-phenylethanol	288.74
styrene	253.99
dioctyl adipate	111.81
dimethyl sulfate	249.01
ethyl butyrate	264.42
methyl lactate	162.46
butyl lactate	129.22
diethyl carbonate	175.0
propanediol butyl ether	148.2
triethyl orthoformate	133.16
p-tert-butyltoluene	76.74
methyl 4-tert-butylbenzoate	177.69
morpholine	1158.95
tert-butylamine	191.36
n-dodecanol	39.37
dimethoxymethane	515.08
ethylene carbonate	395.89
cyrene	194.86
2-ethoxyethyl acetate	259.15
2-ethylhexyl acetate	276.11
1,2,4-trichlorobenzene	419.88
4-methylpyridine	1046.12
dibutyl ether	101.19
2,6-dimethyl-4-heptanol	71.06
DEF	604.92
dimethyl isosorbide	320.76
tetrachloroethylene	738.32
eugenol	181.23
triacetin	178.81
span 80	137.06
1,4-butanediol	94.41
1,1-dichloroethane	1075.73
2-methyl-1-pentanol	223.1
methyl formate	464.93
2-methyl-1-butanol	265.88
n-decane	7.11
butyronitrile	553.06
3,7-dimethyl-1-octanol	93.98
1-chlorooctane	58.96
1-chlorotetradecane	20.8
n-nonane	6.21
undecane	5.43
tert-butylcyclohexane	19.42
cyclooctane	8.28
cyclopentanol	299.73
tetrahydropyran	837.35
tert-amyl methyl ether	223.17
2,5,8-trioxanonane	289.2
1-hexene	123.98
2-isopropoxyethanol	221.99
2,2,2-trifluoroethanol	85.35
methyl butyrate	462.38

Scent© AI