Molecular formula
C9H10O4

SMILES
COC1=CC=CC=C1C(=O)OOC

Fragrance
Sweet	59.85%
Fruity	59.81%
Floral	54.58%
Herbal	41.83%
Green	35.84%
Vanilla	35.12%
Anisic	32.94%
Balsamic	32.87%
Spicy	32.62%
Powdery	31.71%

 

Flavor
Fruity	62.99%
Sweet	51.11%
Floral	46.28%
Balsam	38.64%
Bitter	37.33%
Herbal	34.83%
Grape	34.48%
Powdery	33.4%
Wintergreen	29.77%
Strawberry	29.14%

 

Odor impact est.
Medium

XLogP3-AA
2.1

pKa est.
5.64 (weak acid)

Molecular weight
182.17 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
271°C

Flash point

• 98.01 ˚C est.

• o,p-dimethoxybenzoic acid
• SCHEMBL6096882

o,p-Dimethoxybenzoic acid is an aromatic carboxylic acid commonly used as an intermediate in organic synthesis. It often serves as a building block for the preparation of benzoic acid derivatives used in pharmaceuticals and agrochemicals, and it is also employed as a precursor to dyes and pigments. In polymer and materials science, it can act as a starting material for specialty monomers or as a reactive building block in synthetic routes. In cosmetics and personal care, it may be used as a fragrance-related intermediate or as a precursor to related additives. It may also be evaluated for use in coatings and inks as a functional aromatic component in formulation work.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	88.46
methanol	120.69
isopropanol	55.1
water	0.56
ethyl acetate	200.37
n-propanol	59.27
acetone	268.85
n-butanol	56.52
acetonitrile	211.75
DMF	448.22
toluene	108.61
isobutanol	43.6
1,4-dioxane	422.85
methyl acetate	221.44
THF	403.32
2-butanone	163.0
n-pentanol	44.82
sec-butanol	43.85
n-hexane	7.1
ethylene glycol	78.24
NMP	437.87
cyclohexane	28.09
DMSO	361.55
n-butyl acetate	84.12
n-octanol	28.13
chloroform	576.15
n-propyl acetate	89.96
acetic acid	199.42
dichloromethane	618.91
cyclohexanone	282.07
propylene glycol	36.0
isopropyl acetate	89.53
DMAc	351.21
2-ethoxyethanol	136.06
isopentanol	56.46
n-heptane	7.14
ethyl formate	150.13
1,2-dichloroethane	442.44
n-hexanol	48.52
2-methoxyethanol	302.06
isobutyl acetate	54.58
tetrachloromethane	71.83
n-pentyl acetate	45.98
transcutol	227.34
n-heptanol	26.5
ethylbenzene	60.89
MIBK	76.88
2-propoxyethanol	134.9
tert-butanol	99.72
MTBE	73.5
2-butoxyethanol	65.34
propionic acid	100.41
o-xylene	75.73
formic acid	103.44
diethyl ether	111.5
m-xylene	77.48
p-xylene	74.93
chlorobenzene	188.06
dimethyl carbonate	145.81
n-octane	4.1
formamide	215.59
cyclopentanone	344.63
2-pentanone	128.48
anisole	147.57
cyclopentyl methyl ether	149.48
gamma-butyrolactone	416.77
1-methoxy-2-propanol	146.1
pyridine	312.28
3-pentanone	121.14
furfural	461.63
n-dodecane	5.06
diethylene glycol	191.66
diisopropyl ether	29.62
tert-amyl alcohol	63.46
acetylacetone	223.74
n-hexadecane	6.13
acetophenone	141.68
methyl propionate	179.38
isopentyl acetate	76.38
trichloroethylene	837.02
n-nonanol	27.5
cyclohexanol	95.47
benzyl alcohol	111.28
2-ethylhexanol	39.15
isooctanol	23.97
dipropyl ether	44.88
1,2-dichlorobenzene	179.86
ethyl lactate	62.49
propylene carbonate	219.46
n-methylformamide	228.24
2-pentanol	36.13
n-pentane	6.78
1-propoxy-2-propanol	70.95
1-methoxy-2-propyl acetate	107.8
2-(2-methoxypropoxy) propanol	87.61
mesitylene	51.89
ε-caprolactone	216.26
p-cymene	36.89
epichlorohydrin	539.19
1,1,1-trichloroethane	334.72
2-aminoethanol	77.78
morpholine-4-carbaldehyde	395.99
sulfolane	457.2
2,2,4-trimethylpentane	6.93
2-methyltetrahydrofuran	222.35
n-hexyl acetate	70.42
isooctane	5.45
2-(2-butoxyethoxy)ethanol	95.41
sec-butyl acetate	60.23
tert-butyl acetate	105.28
decalin	17.98
glycerin	98.57
diglyme	223.79
acrylic acid	134.74
isopropyl myristate	36.04
n-butyric acid	120.03
acetyl acetate	174.41
di(2-ethylhexyl) phthalate	43.14
ethyl propionate	98.58
nitromethane	498.85
1,2-diethoxyethane	83.69
benzonitrile	149.28
trioctyl phosphate	27.83
1-bromopropane	135.9
gamma-valerolactone	392.75
n-decanol	22.33
triethyl phosphate	60.71
4-methyl-2-pentanol	28.74
propionitrile	120.26
vinylene carbonate	236.56
1,1,2-trichlorotrifluoroethane	363.14
DMS	123.62
cumene	41.45
2-octanol	18.17
2-hexanone	77.7
octyl acetate	42.52
limonene	50.05
1,2-dimethoxyethane	268.19
ethyl orthosilicate	52.33
tributyl phosphate	37.53
diacetone alcohol	121.74
N,N-dimethylaniline	94.71
acrylonitrile	203.95
aniline	140.0
1,3-propanediol	112.32
bromobenzene	204.35
dibromomethane	340.31
1,1,2,2-tetrachloroethane	559.47
2-methyl-cyclohexyl acetate	71.66
tetrabutyl urea	53.53
diisobutyl methanol	28.75
2-phenylethanol	96.14
styrene	83.5
dioctyl adipate	58.1
dimethyl sulfate	235.93
ethyl butyrate	77.04
methyl lactate	101.76
butyl lactate	41.53
diethyl carbonate	75.46
propanediol butyl ether	51.92
triethyl orthoformate	61.59
p-tert-butyltoluene	37.09
methyl 4-tert-butylbenzoate	98.86
morpholine	352.18
tert-butylamine	52.61
n-dodecanol	19.58
dimethoxymethane	285.39
ethylene carbonate	182.98
cyrene	127.9
2-ethoxyethyl acetate	79.19
2-ethylhexyl acetate	64.79
1,2,4-trichlorobenzene	215.44
4-methylpyridine	242.16
dibutyl ether	38.68
2,6-dimethyl-4-heptanol	28.75
DEF	187.35
dimethyl isosorbide	172.88
tetrachloroethylene	374.61
eugenol	95.75
triacetin	96.91
span 80	58.99
1,4-butanediol	42.83
1,1-dichloroethane	303.26
2-methyl-1-pentanol	47.22
methyl formate	246.68
2-methyl-1-butanol	48.08
n-decane	7.01
butyronitrile	104.05
3,7-dimethyl-1-octanol	34.49
1-chlorooctane	30.12
1-chlorotetradecane	15.84
n-nonane	6.17
undecane	5.84
tert-butylcyclohexane	13.28
cyclooctane	9.13
cyclopentanol	106.48
tetrahydropyran	253.64
tert-amyl methyl ether	64.5
2,5,8-trioxanonane	167.4
1-hexene	25.8
2-isopropoxyethanol	85.0
2,2,2-trifluoroethanol	118.46
methyl butyrate	126.96

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