Molecular formula
C16H16O6

SMILES
COC1=C(C=CC(=C1)COC(=O)C2=CC(=C(C=C2)O)OC)O

Fragrance
Vanilla	80.36%
Sweet	71.83%
Balsamic	63.53%
Floral	56.13%
Spicy	53.79%
Phenolic	52.76%
Powdery	51.44%
Creamy	47.36%
Clove	39.5%
Smoky	38.99%

 

Flavor
Bitter	58.5%
Sweet	45.81%
Vanilla	42.85%
Woody	37.77%
Powdery	34.85%
Faint	28.5%
Smoky	27.94%
Balsamic	26.68%
Creamy	26.54%
Phenolic	25.72%

 

Odor impact est.
Low

XLogP3-AA
2.5

pKa est.
8.47 (weak base)

Molecular weight
304.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
520°C

Flash point

• 195.99 ˚C est.

• SCHEMBL4955356

Applied in fragrance chemistry and cosmetics, the compound (4-Hydroxy-3-methoxyphenyl)methyl 4-hydroxy-3-methoxybenzoate serves as a fragrance ingredient in perfumes, personal care products, and cosmetics, with potential as a mild odor fixative; it is also used as a synthetic intermediate or building block for related fragrant esters in industrial manufacturing and may function as a fragrance additive in household products such as cleaners and air fresheners, as well as in coatings, inks, and adhesive formulations where a scent component is desired.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	12.49
methanol	15.62
isopropanol	12.82
water	0.13
ethyl acetate	31.3
n-propanol	14.76
acetone	34.11
n-butanol	9.74
acetonitrile	16.18
DMF	74.4
toluene	2.96
isobutanol	6.67
1,4-dioxane	60.47
methyl acetate	32.06
THF	225.33
2-butanone	28.23
n-pentanol	8.1
sec-butanol	15.63
n-hexane	0.41
ethylene glycol	13.2
NMP	33.05
cyclohexane	0.61
DMSO	213.07
n-butyl acetate	5.76
n-octanol	5.23
chloroform	17.73
n-propyl acetate	9.89
acetic acid	37.18
dichloromethane	24.12
cyclohexanone	23.29
propylene glycol	11.89
isopropyl acetate	17.6
DMAc	103.34
2-ethoxyethanol	61.77
isopentanol	7.9
n-heptane	1.13
ethyl formate	9.22
1,2-dichloroethane	19.02
n-hexanol	5.62
2-methoxyethanol	100.65
isobutyl acetate	4.73
tetrachloromethane	1.8
n-pentyl acetate	7.91
transcutol	96.33
n-heptanol	6.03
ethylbenzene	2.82
MIBK	13.85
2-propoxyethanol	36.09
tert-butanol	27.85
MTBE	21.69
2-butoxyethanol	21.14
propionic acid	20.08
o-xylene	3.37
formic acid	29.71
diethyl ether	25.18
m-xylene	2.53
p-xylene	3.17
chlorobenzene	3.04
dimethyl carbonate	34.03
n-octane	0.77
formamide	98.04
cyclopentanone	53.42
2-pentanone	19.01
anisole	13.59
cyclopentyl methyl ether	29.8
gamma-butyrolactone	74.32
1-methoxy-2-propanol	65.41
pyridine	21.45
3-pentanone	20.08
furfural	39.36
n-dodecane	0.58
diethylene glycol	43.91
diisopropyl ether	6.23
tert-amyl alcohol	24.61
acetylacetone	45.74
n-hexadecane	0.67
acetophenone	13.07
methyl propionate	34.99
isopentyl acetate	7.02
trichloroethylene	35.31
n-nonanol	6.21
cyclohexanol	10.81
benzyl alcohol	10.3
2-ethylhexanol	4.29
isooctanol	5.59
dipropyl ether	12.77
1,2-dichlorobenzene	4.79
ethyl lactate	11.88
propylene carbonate	15.63
n-methylformamide	32.98
2-pentanol	9.79
n-pentane	0.42
1-propoxy-2-propanol	21.88
1-methoxy-2-propyl acetate	21.44
2-(2-methoxypropoxy) propanol	27.38
mesitylene	1.98
ε-caprolactone	23.69
p-cymene	2.73
epichlorohydrin	90.68
1,1,1-trichloroethane	9.13
2-aminoethanol	18.62
morpholine-4-carbaldehyde	72.13
sulfolane	84.34
2,2,4-trimethylpentane	0.56
2-methyltetrahydrofuran	47.68
n-hexyl acetate	9.66
isooctane	0.32
2-(2-butoxyethoxy)ethanol	34.42
sec-butyl acetate	8.23
tert-butyl acetate	27.07
decalin	0.59
glycerin	36.78
diglyme	77.68
acrylic acid	22.82
isopropyl myristate	5.9
n-butyric acid	15.53
acetyl acetate	22.47
di(2-ethylhexyl) phthalate	5.81
ethyl propionate	14.86
nitromethane	129.7
1,2-diethoxyethane	27.62
benzonitrile	5.96
trioctyl phosphate	4.43
1-bromopropane	6.26
gamma-valerolactone	63.97
n-decanol	4.85
triethyl phosphate	9.37
4-methyl-2-pentanol	5.65
propionitrile	12.36
vinylene carbonate	15.02
1,1,2-trichlorotrifluoroethane	55.25
DMS	17.62
cumene	2.12
2-octanol	4.65
2-hexanone	9.82
octyl acetate	6.73
limonene	3.77
1,2-dimethoxyethane	82.35
ethyl orthosilicate	9.44
tributyl phosphate	5.23
diacetone alcohol	37.91
N,N-dimethylaniline	11.28
acrylonitrile	18.69
aniline	7.43
1,3-propanediol	27.07
bromobenzene	2.93
dibromomethane	10.61
1,1,2,2-tetrachloroethane	26.67
2-methyl-cyclohexyl acetate	8.7
tetrabutyl urea	8.61
diisobutyl methanol	5.12
2-phenylethanol	8.18
styrene	3.02
dioctyl adipate	10.58
dimethyl sulfate	64.73
ethyl butyrate	9.24
methyl lactate	25.32
butyl lactate	8.35
diethyl carbonate	8.19
propanediol butyl ether	14.48
triethyl orthoformate	11.33
p-tert-butyltoluene	2.93
methyl 4-tert-butylbenzoate	19.11
morpholine	73.73
tert-butylamine	8.99
n-dodecanol	3.81
dimethoxymethane	111.66
ethylene carbonate	12.46
cyrene	29.89
2-ethoxyethyl acetate	19.52
2-ethylhexyl acetate	4.65
1,2,4-trichlorobenzene	7.06
4-methylpyridine	10.85
dibutyl ether	8.84
2,6-dimethyl-4-heptanol	5.12
DEF	30.88
dimethyl isosorbide	49.37
tetrachloroethylene	17.32
eugenol	18.22
triacetin	22.43
span 80	16.19
1,4-butanediol	10.93
1,1-dichloroethane	8.3
2-methyl-1-pentanol	7.49
methyl formate	28.23
2-methyl-1-butanol	7.98
n-decane	1.08
butyronitrile	6.97
3,7-dimethyl-1-octanol	5.63
1-chlorooctane	3.3
1-chlorotetradecane	1.5
n-nonane	0.93
undecane	0.77
tert-butylcyclohexane	0.54
cyclooctane	0.41
cyclopentanol	15.31
tetrahydropyran	32.59
tert-amyl methyl ether	19.8
2,5,8-trioxanonane	59.08
1-hexene	1.8
2-isopropoxyethanol	33.2
2,2,2-trifluoroethanol	21.74
methyl butyrate	13.15

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