Molecular formula
C13H18O4

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

Fragrance
Sweet	73.52%
Vanilla	64.98%
Balsamic	62.59%
Floral	59.47%
Spicy	47.6%
Woody	41.11%
Herbal	38.15%
Powdery	37.89%
Phenolic	37.82%
Clove	37.14%

 

Flavor
Woody	46.5%
Bitter	41.24%
Herbal	36.96%
Sweet	30.4%
Spice	30.14%
Spicy	29.46%
Floral	27.63%
Warm	25.12%
Balsam	24.78%
Powdery	24.71%

 

Odor impact est.
Medium

XLogP3-AA
3.4

pKa est.
7.97 (neutral)

Molecular weight
238.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
348°C

Flash point

• 140.56 ˚C est.

• SCHEMBL8887372

3-Methylbutyl 4-hydroxy-3-methoxybenzoate is primarily utilized as a fragrance ingredient and odorant in perfumery and personal care formulations, where it contributes vanilla-like or fruity aroma notes; it may also be used as a flavoring component in certain food and beverage applications, depending on regulatory allowances. In household products and air-freshening formulations, it adds a soft vanilla-tinged aroma; in coatings and inks, it can serve as an odorant additive to improve scent profiles; and in broader industrial fragrance syntheses, it may function as an aroma chemical or intermediate for more complex scent compounds.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1878.66
methanol	2938.05
isopropanol	798.43
water	0.41
ethyl acetate	2378.56
n-propanol	1238.39
acetone	2327.48
n-butanol	848.76
acetonitrile	1547.0
DMF	3798.62
toluene	150.83
isobutanol	600.84
1,4-dioxane	1004.14
methyl acetate	1824.44
THF	1902.14
2-butanone	1605.65
n-pentanol	347.54
sec-butanol	723.95
n-hexane	3.66
ethylene glycol	270.88
NMP	1723.61
cyclohexane	9.82
DMSO	3289.5
n-butyl acetate	563.49
n-octanol	73.48
chloroform	1201.89
n-propyl acetate	620.65
acetic acid	2102.7
dichloromethane	1550.76
cyclohexanone	1308.54
propylene glycol	444.4
isopropyl acetate	898.15
DMAc	1957.42
2-ethoxyethanol	1171.41
isopentanol	570.6
n-heptane	2.74
ethyl formate	757.54
1,2-dichloroethane	1328.11
n-hexanol	245.41
2-methoxyethanol	3187.46
isobutyl acetate	281.37
tetrachloromethane	72.22
n-pentyl acetate	227.63
transcutol	2778.27
n-heptanol	89.07
ethylbenzene	76.86
MIBK	576.48
2-propoxyethanol	809.87
tert-butanol	1009.93
MTBE	789.07
2-butoxyethanol	316.4
propionic acid	1161.84
o-xylene	97.84
formic acid	978.44
diethyl ether	784.91
m-xylene	113.5
p-xylene	107.29
chlorobenzene	326.33
dimethyl carbonate	619.36
n-octane	1.86
formamide	2973.97
cyclopentanone	2013.7
2-pentanone	1377.78
anisole	330.56
cyclopentyl methyl ether	730.9
gamma-butyrolactone	2353.03
1-methoxy-2-propanol	1847.98
pyridine	962.94
3-pentanone	774.17
furfural	1412.94
n-dodecane	2.37
diethylene glycol	784.78
diisopropyl ether	123.76
tert-amyl alcohol	872.35
acetylacetone	1595.81
n-hexadecane	2.86
acetophenone	396.38
methyl propionate	1729.54
isopentyl acetate	478.49
trichloroethylene	2565.22
n-nonanol	70.18
cyclohexanol	464.8
benzyl alcohol	354.9
2-ethylhexanol	118.81
isooctanol	80.26
dipropyl ether	108.38
1,2-dichlorobenzene	297.83
ethyl lactate	273.56
propylene carbonate	965.58
n-methylformamide	2467.97
2-pentanol	485.63
n-pentane	4.47
1-propoxy-2-propanol	436.46
1-methoxy-2-propyl acetate	695.93
2-(2-methoxypropoxy) propanol	356.14
mesitylene	61.36
ε-caprolactone	1218.06
p-cymene	47.4
epichlorohydrin	2689.44
1,1,1-trichloroethane	709.58
2-aminoethanol	804.6
morpholine-4-carbaldehyde	1629.27
sulfolane	2158.1
2,2,4-trimethylpentane	8.41
2-methyltetrahydrofuran	1314.23
n-hexyl acetate	301.25
isooctane	6.01
2-(2-butoxyethoxy)ethanol	538.59
sec-butyl acetate	390.43
tert-butyl acetate	835.71
decalin	9.14
glycerin	619.8
diglyme	1085.35
acrylic acid	1012.19
isopropyl myristate	93.87
n-butyric acid	1463.24
acetyl acetate	942.73
di(2-ethylhexyl) phthalate	105.79
ethyl propionate	527.93
nitromethane	5216.84
1,2-diethoxyethane	525.23
benzonitrile	368.85
trioctyl phosphate	73.4
1-bromopropane	339.78
gamma-valerolactone	2270.85
n-decanol	49.65
triethyl phosphate	136.53
4-methyl-2-pentanol	197.58
propionitrile	825.03
vinylene carbonate	829.23
1,1,2-trichlorotrifluoroethane	1525.96
DMS	451.21
cumene	50.36
2-octanol	56.35
2-hexanone	449.13
octyl acetate	127.36
limonene	74.73
1,2-dimethoxyethane	1182.68
ethyl orthosilicate	123.23
tributyl phosphate	112.51
diacetone alcohol	1088.58
N,N-dimethylaniline	175.78
acrylonitrile	1228.04
aniline	427.43
1,3-propanediol	1279.44
bromobenzene	281.78
dibromomethane	687.71
1,1,2,2-tetrachloroethane	1679.6
2-methyl-cyclohexyl acetate	233.47
tetrabutyl urea	122.99
diisobutyl methanol	74.36
2-phenylethanol	275.08
styrene	105.02
dioctyl adipate	179.04
dimethyl sulfate	909.44
ethyl butyrate	318.33
methyl lactate	636.59
butyl lactate	199.5
diethyl carbonate	227.22
propanediol butyl ether	321.12
triethyl orthoformate	181.96
p-tert-butyltoluene	49.65
methyl 4-tert-butylbenzoate	253.17
morpholine	1985.32
tert-butylamine	342.79
n-dodecanol	35.76
dimethoxymethane	1885.38
ethylene carbonate	683.27
cyrene	359.16
2-ethoxyethyl acetate	515.08
2-ethylhexyl acetate	315.48
1,2,4-trichlorobenzene	394.81
4-methylpyridine	958.7
dibutyl ether	99.07
2,6-dimethyl-4-heptanol	74.36
DEF	1506.03
dimethyl isosorbide	589.41
tetrachloroethylene	810.25
eugenol	239.0
triacetin	372.52
span 80	249.86
1,4-butanediol	267.88
1,1-dichloroethane	1006.51
2-methyl-1-pentanol	315.86
methyl formate	1431.0
2-methyl-1-butanol	570.01
n-decane	3.58
butyronitrile	636.19
3,7-dimethyl-1-octanol	102.87
1-chlorooctane	35.94
1-chlorotetradecane	13.82
n-nonane	2.93
undecane	2.85
tert-butylcyclohexane	8.54
cyclooctane	3.04
cyclopentanol	591.86
tetrahydropyran	875.06
tert-amyl methyl ether	515.46
2,5,8-trioxanonane	629.94
1-hexene	39.52
2-isopropoxyethanol	595.21
2,2,2-trifluoroethanol	639.37
methyl butyrate	713.72

Scent© AI