Molecular formula
C13H13Cl8NO4

SMILES
CNC.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O.C(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Fragrance
Cheesy	81.8%
Fishy	79.73%
Ripe	65.25%
Fermented	32.61%
Oily	30.31%
Pungent	29.96%
Sweaty	26.78%
Alcoholic	22.76%
Odorless	21.99%
Solvent	21.64%

 

Flavor
Fishy	41.94%
Ammoniacal	28.43%
Alcoholic	26.42%
Onion	23.85%
Pungent	23.12%
Ammonia	21.5%
Bitter	21.4%
Rotten	21.34%
Decomposing cabbage	21.3%
Very slight	20.3%

 

Odor impact est.
Medium

pKa est.
8.64 (weak base)

Molecular weight
530.9 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
6°C

Flash point

• -34.82 ˚C est.

The three chemicals 2-(2,4-dichlorophenoxy)acetic acid;1,1,1,3,3,3-hexachloropropan-2-one;N-methylmethanamine are used in distinct industrial contexts. 2-(2,4-dichlorophenoxy)acetic acid is best known as the active ingredient in selective herbicides for agriculture and turf management, enabling targeted weed control in cereals, pastures, lawns and ornamental crops, and is commonly formulated as emulsifiable concentrates, granules or solutions. 1,1,1,3,3,3-hexachloropropan-2-one primarily serves as an organic synthesis intermediate, acting as a building block in the preparation of specialty chemicals and process formulations; its use is typically concentrated in research, development and manufacturing of chlorinated intermediates. N-methylmethanamine, a widely used industrial building block (dimethylamine), functions as a reagent and solvent in the production of pesticides, surfactants and quaternary ammonium compounds, dyes and pigments, and as a precursor for polyurethane foams and other chemical syntheses. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	149.46
methanol	242.78
isopropanol	63.52
water	38.7
ethyl acetate	16.01
n-propanol	107.23
acetone	20.95
n-butanol	72.51
acetonitrile	24.59
DMF	53.23
toluene	2.73
isobutanol	50.67
1,4-dioxane	32.3
methyl acetate	23.54
THF	54.27
2-butanone	19.35
n-pentanol	23.7
sec-butanol	51.59
n-hexane	2.62
ethylene glycol	173.23
NMP	89.36
cyclohexane	5.47
DMSO	56.89
n-butyl acetate	28.58
n-octanol	14.83
chloroform	63.52
n-propyl acetate	9.94
acetic acid	356.17
dichloromethane	41.74
cyclohexanone	34.09
propylene glycol	150.51
isopropyl acetate	5.93
DMAc	38.53
2-ethoxyethanol	43.07
isopentanol	24.92
n-heptane	9.27
ethyl formate	27.64
1,2-dichloroethane	18.28
n-hexanol	58.94
2-methoxyethanol	123.83
isobutyl acetate	5.58
tetrachloromethane	22.98
n-pentyl acetate	10.52
transcutol	58.92
n-heptanol	25.84
ethylbenzene	1.45
MIBK	3.35
2-propoxyethanol	86.64
tert-butanol	37.94
MTBE	7.65
2-butoxyethanol	48.41
propionic acid	165.44
o-xylene	2.63
formic acid	271.37
diethyl ether	10.92
m-xylene	1.79
p-xylene	2.15
chlorobenzene	8.83
dimethyl carbonate	8.74
n-octane	1.8
formamide	137.48
cyclopentanone	50.95
2-pentanone	10.1
anisole	5.02
cyclopentyl methyl ether	18.65
gamma-butyrolactone	78.32
1-methoxy-2-propanol	57.92
pyridine	34.23
3-pentanone	10.45
furfural	77.29
n-dodecane	1.14
diethylene glycol	100.45
diisopropyl ether	1.83
tert-amyl alcohol	34.56
acetylacetone	8.41
n-hexadecane	1.13
acetophenone	7.13
methyl propionate	19.63
isopentyl acetate	16.57
trichloroethylene	41.4
n-nonanol	12.77
cyclohexanol	45.35
benzyl alcohol	13.22
2-ethylhexanol	26.44
isooctanol	14.46
dipropyl ether	19.32
1,2-dichlorobenzene	9.35
ethyl lactate	16.48
propylene carbonate	41.53
n-methylformamide	78.06
2-pentanol	24.16
n-pentane	4.33
1-propoxy-2-propanol	65.01
1-methoxy-2-propyl acetate	20.81
2-(2-methoxypropoxy) propanol	22.97
mesitylene	1.14
ε-caprolactone	39.48
p-cymene	5.09
epichlorohydrin	37.17
1,1,1-trichloroethane	16.35
2-aminoethanol	201.42
morpholine-4-carbaldehyde	61.98
sulfolane	96.31
2,2,4-trimethylpentane	1.72
2-methyltetrahydrofuran	32.3
n-hexyl acetate	13.09
isooctane	0.68
2-(2-butoxyethoxy)ethanol	33.72
sec-butyl acetate	4.51
tert-butyl acetate	5.59
decalin	1.24
glycerin	201.32
diglyme	45.57
acrylic acid	186.84
isopropyl myristate	4.62
n-butyric acid	106.13
acetyl acetate	11.73
di(2-ethylhexyl) phthalate	10.13
ethyl propionate	8.38
nitromethane	103.11
1,2-diethoxyethane	12.01
benzonitrile	12.53
trioctyl phosphate	7.97
1-bromopropane	12.01
gamma-valerolactone	63.08
n-decanol	9.3
triethyl phosphate	10.98
4-methyl-2-pentanol	6.27
propionitrile	23.82
vinylene carbonate	41.98
1,1,2-trichlorotrifluoroethane	115.22
DMS	11.57
cumene	1.5
2-octanol	10.04
2-hexanone	6.58
octyl acetate	8.73
limonene	9.87
1,2-dimethoxyethane	23.46
ethyl orthosilicate	10.83
tributyl phosphate	9.08
diacetone alcohol	15.32
N,N-dimethylaniline	4.36
acrylonitrile	36.01
aniline	20.02
1,3-propanediol	150.53
bromobenzene	5.46
dibromomethane	28.55
1,1,2,2-tetrachloroethane	38.1
2-methyl-cyclohexyl acetate	14.73
tetrabutyl urea	10.79
diisobutyl methanol	9.08
2-phenylethanol	20.41
styrene	2.14
dioctyl adipate	9.18
dimethyl sulfate	16.16
ethyl butyrate	16.96
methyl lactate	32.0
butyl lactate	20.71
diethyl carbonate	11.62
propanediol butyl ether	39.23
triethyl orthoformate	15.1
p-tert-butyltoluene	5.22
methyl 4-tert-butylbenzoate	13.4
morpholine	57.65
tert-butylamine	21.92
n-dodecanol	7.08
dimethoxymethane	17.95
ethylene carbonate	30.64
cyrene	22.99
2-ethoxyethyl acetate	12.96
2-ethylhexyl acetate	13.97
1,2,4-trichlorobenzene	14.43
4-methylpyridine	16.55
dibutyl ether	7.42
2,6-dimethyl-4-heptanol	9.08
DEF	20.06
dimethyl isosorbide	33.15
tetrachloroethylene	42.36
eugenol	19.19
triacetin	15.94
span 80	37.16
1,4-butanediol	47.27
1,1-dichloroethane	15.43
2-methyl-1-pentanol	11.02
methyl formate	45.86
2-methyl-1-butanol	35.84
n-decane	1.75
butyronitrile	20.07
3,7-dimethyl-1-octanol	10.29
1-chlorooctane	5.1
1-chlorotetradecane	2.21
n-nonane	1.82
undecane	1.33
tert-butylcyclohexane	1.34
cyclooctane	1.43
cyclopentanol	78.26
tetrahydropyran	28.73
tert-amyl methyl ether	7.78
2,5,8-trioxanonane	34.06
1-hexene	5.4
2-isopropoxyethanol	19.52
2,2,2-trifluoroethanol	133.11
methyl butyrate	12.67

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