Molecular formula
C6H14O6

SMILES
CC(=O)O.CC(=O)O.C(CO)O

Fragrance
Sour	68.08%
Sharp	57.49%
Pungent	55.59%
Odorless	46.14%
Cheesy	39.7%
Dairy	30.78%
Burnt	30.77%
Milky	29.49%
Sweaty	29.2%
Caramellic	25.8%

 

Flavor
Pungent	57.23%
Vinegar	56.69%
Sharp	49.61%
Sour	48.79%
Odorless	41.69%
Acidic	37.21%
Rancid	35.91%
Formyl	25.16%
Soy	25.1%
Mousy	24.53%

 

Odor impact est.
High

pKa est.
9.57 (weak base)

Molecular weight
182.17 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
117°C

Flash point

• 47.39 ˚C est.

• SCHEMBL2516097
• AKOS025294094

Acetic acid and ethane-1,2-diol (ethylene glycol) have many real-world industrial applications. Acetic acid is used as a reagent and solvent in chemical synthesis, particularly for acetylation and the production of esters; it also serves as an intermediate for manufacturing acetic anhydride and vinyl acetate monomer (VAM); it is employed as an acidity regulator in food processing and in cleaning, coating, and paper formulations. Ethane-1,2-diol is used as antifreeze and a heat-transfer fluid; it is a key feedstock for producing polyester (PET) and related polymers; it is also used as a solvent for coatings and inks and as a humectant in cosmetics at appropriate levels. Both substances are used under local regulatory and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	315.87
methanol	669.41
isopropanol	200.77
water	3231.57
ethyl acetate	46.15
n-propanol	162.38
acetone	218.74
n-butanol	104.17
acetonitrile	123.75
DMF	963.22
toluene	5.67
isobutanol	97.12
1,4-dioxane	158.45
methyl acetate	87.17
THF	171.54
2-butanone	76.53
n-pentanol	67.7
sec-butanol	98.45
n-hexane	5.08
ethylene glycol	621.18
NMP	331.42
cyclohexane	2.65
DMSO	376.04
n-butyl acetate	21.64
n-octanol	34.09
chloroform	14.61
n-propyl acetate	35.66
acetic acid	354.23
dichloromethane	18.98
cyclohexanone	56.02
propylene glycol	445.24
isopropyl acetate	28.22
DMAc	575.52
2-ethoxyethanol	269.33
isopentanol	67.45
n-heptane	3.79
ethyl formate	100.7
1,2-dichloroethane	16.4
n-hexanol	41.97
2-methoxyethanol	528.43
isobutyl acetate	22.95
tetrachloromethane	6.94
n-pentyl acetate	21.18
transcutol	219.9
n-heptanol	30.78
ethylbenzene	4.89
MIBK	31.57
2-propoxyethanol	179.02
tert-butanol	171.38
MTBE	47.35
2-butoxyethanol	100.18
propionic acid	169.69
o-xylene	8.25
formic acid	695.4
diethyl ether	40.97
m-xylene	7.2
p-xylene	6.91
chlorobenzene	5.71
dimethyl carbonate	89.98
n-octane	1.82
formamide	590.16
cyclopentanone	94.82
2-pentanone	51.04
anisole	30.85
cyclopentyl methyl ether	46.49
gamma-butyrolactone	137.44
1-methoxy-2-propanol	310.16
pyridine	40.77
3-pentanone	35.69
furfural	161.19
n-dodecane	2.0
diethylene glycol	297.13
diisopropyl ether	12.16
tert-amyl alcohol	95.45
acetylacetone	65.79
n-hexadecane	2.0
acetophenone	31.41
methyl propionate	69.06
isopentyl acetate	17.5
trichloroethylene	19.98
n-nonanol	29.65
cyclohexanol	48.29
benzyl alcohol	45.43
2-ethylhexanol	18.07
isooctanol	22.52
dipropyl ether	25.41
1,2-dichlorobenzene	6.56
ethyl lactate	64.89
propylene carbonate	69.57
n-methylformamide	462.29
2-pentanol	51.24
n-pentane	5.1
1-propoxy-2-propanol	92.56
1-methoxy-2-propyl acetate	41.51
2-(2-methoxypropoxy) propanol	91.08
mesitylene	6.13
ε-caprolactone	62.1
p-cymene	5.72
epichlorohydrin	92.21
1,1,1-trichloroethane	11.11
2-aminoethanol	521.12
morpholine-4-carbaldehyde	400.06
sulfolane	145.86
2,2,4-trimethylpentane	3.08
2-methyltetrahydrofuran	68.43
n-hexyl acetate	31.57
isooctane	2.49
2-(2-butoxyethoxy)ethanol	118.36
sec-butyl acetate	19.45
tert-butyl acetate	28.63
decalin	2.31
glycerin	685.34
diglyme	197.09
acrylic acid	201.36
isopropyl myristate	14.04
n-butyric acid	101.22
acetyl acetate	31.54
di(2-ethylhexyl) phthalate	22.75
ethyl propionate	35.78
nitromethane	382.51
1,2-diethoxyethane	40.39
benzonitrile	24.72
trioctyl phosphate	17.42
1-bromopropane	8.01
gamma-valerolactone	209.03
n-decanol	22.37
triethyl phosphate	17.24
4-methyl-2-pentanol	30.64
propionitrile	58.67
vinylene carbonate	69.55
1,1,2-trichlorotrifluoroethane	146.35
DMS	35.6
cumene	5.79
2-octanol	18.68
2-hexanone	35.46
octyl acetate	21.99
limonene	7.64
1,2-dimethoxyethane	274.71
ethyl orthosilicate	16.8
tributyl phosphate	19.32
diacetone alcohol	77.88
N,N-dimethylaniline	32.29
acrylonitrile	91.53
aniline	30.74
1,3-propanediol	346.39
bromobenzene	2.97
dibromomethane	9.3
1,1,2,2-tetrachloroethane	19.32
2-methyl-cyclohexyl acetate	17.77
tetrabutyl urea	31.19
diisobutyl methanol	12.12
2-phenylethanol	29.38
styrene	5.33
dioctyl adipate	25.98
dimethyl sulfate	127.25
ethyl butyrate	22.23
methyl lactate	140.01
butyl lactate	37.68
diethyl carbonate	19.25
propanediol butyl ether	128.3
triethyl orthoformate	21.63
p-tert-butyltoluene	6.04
methyl 4-tert-butylbenzoate	43.21
morpholine	197.67
tert-butylamine	75.57
n-dodecanol	17.2
dimethoxymethane	283.93
ethylene carbonate	58.86
cyrene	99.18
2-ethoxyethyl acetate	34.22
2-ethylhexyl acetate	12.71
1,2,4-trichlorobenzene	8.97
4-methylpyridine	44.65
dibutyl ether	18.07
2,6-dimethyl-4-heptanol	12.12
DEF	109.17
dimethyl isosorbide	86.16
tetrachloroethylene	17.05
eugenol	62.95
triacetin	45.09
span 80	76.25
1,4-butanediol	190.56
1,1-dichloroethane	14.19
2-methyl-1-pentanol	41.88
methyl formate	339.09
2-methyl-1-butanol	63.67
n-decane	2.87
butyronitrile	46.48
3,7-dimethyl-1-octanol	22.76
1-chlorooctane	7.32
1-chlorotetradecane	4.12
n-nonane	2.64
undecane	2.32
tert-butylcyclohexane	3.09
cyclooctane	1.49
cyclopentanol	87.25
tetrahydropyran	56.36
tert-amyl methyl ether	36.5
2,5,8-trioxanonane	148.55
1-hexene	10.88
2-isopropoxyethanol	134.06
2,2,2-trifluoroethanol	253.46
methyl butyrate	48.62

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