Molecular formula
C16H28Na2O7S

SMILES
CCCCCCCCC(CCC)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Fragrance
Odorless	55.18%
Fatty	25.42%
Savory	24.67%
Milky	21.86%
Oily	20.8%
Herbal	19.89%
Cooling	19.59%
Lactonic	19.5%
Meaty	18.37%
Fresh	17.16%

 

Flavor
Bitter	45.14%
Odorless	31.37%
Bland	30.46%
Mild	22.15%
Cedarleaf	19.4%
Heather	19.35%
Broom	19.03%
Lovage	18.89%
Genet	18.88%
Sweet-like	18.66%

 

Odor impact est.
Low

pKa est.
2.66 (strong acid)

Molecular weight
410.4 g/mol

Flash point

• 165.6 ˚C est.

• SCHEMBL2727544
• DTXSID90927393
• DB-230274
• NS00013624
• Disodium 4-[(dodecan-4-yl)oxy]-4-oxo-3-sulfonatobutanoate
• Butanedioic acid,2-sulfo-,4-dodecyl ester,sodium salt(1:2)

Disodium 4-[(dodecan-4-yl)oxy]-4-oxo-3-sulfonatobutanoate primarily functions as an anionic surfactant with a long hydrophobic tail and a sulfonate head; in practice it is considered for use as an emulsifier and wetting agent. It is commonly evaluated for applications in household and industrial cleaning formulations, coatings and inks where pigment dispersion and surface wetting are important. It can serve as a processing aid or stabilizer in polymer and plastics formulations, helping to improve dispersion of fillers or compatibility of additives. It may also be used as a formulation additive in cosmetics/personal care as a surfactant/emulsifier, and as an intermediate or building block for preparing other sulfonated esters and specialty surfactants. In agrochemical formulations, it can function as a surfactant adjuvant to improve spreading and wetting of active ingredients, and more broadly, in cleaning and formulation chemistry across several sectors.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	57.48
methanol	87.66
isopropanol	31.07
water	0.29
ethyl acetate	41.63
n-propanol	39.84
acetone	129.55
n-butanol	29.16
acetonitrile	47.96
DMF	672.56
toluene	20.54
isobutanol	24.43
1,4-dioxane	57.69
methyl acetate	61.63
THF	208.64
2-butanone	82.39
n-pentanol	25.95
sec-butanol	28.28
n-hexane	1.05
ethylene glycol	20.21
NMP	944.66
cyclohexane	2.16
DMSO	596.95
n-butyl acetate	34.84
n-octanol	10.31
chloroform	122.62
n-propyl acetate	39.03
acetic acid	134.58
dichloromethane	154.77
cyclohexanone	168.71
propylene glycol	35.09
isopropyl acetate	35.18
DMAc	778.8
2-ethoxyethanol	98.17
isopentanol	27.26
n-heptane	0.54
ethyl formate	40.34
1,2-dichloroethane	121.11
n-hexanol	16.3
2-methoxyethanol	167.27
isobutyl acetate	24.57
tetrachloromethane	12.17
n-pentyl acetate	29.33
transcutol	221.79
n-heptanol	10.49
ethylbenzene	14.03
MIBK	43.1
2-propoxyethanol	74.86
tert-butanol	40.95
MTBE	23.24
2-butoxyethanol	46.88
propionic acid	58.83
o-xylene	23.25
formic acid	95.1
diethyl ether	16.62
m-xylene	16.59
p-xylene	18.93
chlorobenzene	41.89
dimethyl carbonate	53.38
n-octane	0.41
formamide	185.19
cyclopentanone	255.55
2-pentanone	65.52
anisole	54.9
cyclopentyl methyl ether	66.57
gamma-butyrolactone	276.15
1-methoxy-2-propanol	124.18
pyridine	108.06
3-pentanone	50.36
furfural	258.21
n-dodecane	0.4
diethylene glycol	69.28
diisopropyl ether	6.23
tert-amyl alcohol	40.46
acetylacetone	131.67
n-hexadecane	0.48
acetophenone	100.27
methyl propionate	61.19
isopentyl acetate	38.93
trichloroethylene	267.5
n-nonanol	10.56
cyclohexanol	32.71
benzyl alcohol	58.56
2-ethylhexanol	10.62
isooctanol	9.99
dipropyl ether	9.97
1,2-dichlorobenzene	59.74
ethyl lactate	43.8
propylene carbonate	130.57
n-methylformamide	183.01
2-pentanol	17.0
n-pentane	0.87
1-propoxy-2-propanol	48.87
1-methoxy-2-propyl acetate	72.14
2-(2-methoxypropoxy) propanol	82.98
mesitylene	10.73
ε-caprolactone	146.52
p-cymene	9.35
epichlorohydrin	274.27
1,1,1-trichloroethane	80.62
2-aminoethanol	49.14
morpholine-4-carbaldehyde	430.91
sulfolane	596.51
2,2,4-trimethylpentane	1.04
2-methyltetrahydrofuran	101.42
n-hexyl acetate	35.92
isooctane	0.6
2-(2-butoxyethoxy)ethanol	87.01
sec-butyl acetate	27.82
tert-butyl acetate	52.35
decalin	2.43
glycerin	74.17
diglyme	161.38
acrylic acid	72.94
isopropyl myristate	12.92
n-butyric acid	70.72
acetyl acetate	45.54
di(2-ethylhexyl) phthalate	26.98
ethyl propionate	35.51
nitromethane	271.83
1,2-diethoxyethane	36.23
benzonitrile	55.59
trioctyl phosphate	15.06
1-bromopropane	30.98
gamma-valerolactone	380.62
n-decanol	7.15
triethyl phosphate	27.55
4-methyl-2-pentanol	11.47
propionitrile	30.02
vinylene carbonate	115.27
1,1,2-trichlorotrifluoroethane	263.53
DMS	57.65
cumene	11.15
2-octanol	6.9
2-hexanone	47.43
octyl acetate	18.35
limonene	13.8
1,2-dimethoxyethane	134.26
ethyl orthosilicate	23.44
tributyl phosphate	20.94
diacetone alcohol	102.67
N,N-dimethylaniline	53.3
acrylonitrile	59.07
aniline	44.84
1,3-propanediol	55.57
bromobenzene	40.36
dibromomethane	75.01
1,1,2,2-tetrachloroethane	223.57
2-methyl-cyclohexyl acetate	44.15
tetrabutyl urea	39.08
diisobutyl methanol	7.56
2-phenylethanol	40.63
styrene	19.53
dioctyl adipate	34.02
dimethyl sulfate	180.01
ethyl butyrate	30.18
methyl lactate	77.98
butyl lactate	42.19
diethyl carbonate	23.26
propanediol butyl ether	54.8
triethyl orthoformate	25.06
p-tert-butyltoluene	8.9
methyl 4-tert-butylbenzoate	80.09
morpholine	117.2
tert-butylamine	16.52
n-dodecanol	4.97
dimethoxymethane	141.04
ethylene carbonate	78.69
cyrene	154.14
2-ethoxyethyl acetate	55.0
2-ethylhexyl acetate	28.46
1,2,4-trichlorobenzene	89.83
4-methylpyridine	116.71
dibutyl ether	9.96
2,6-dimethyl-4-heptanol	7.56
DEF	149.63
dimethyl isosorbide	189.59
tetrachloroethylene	111.91
eugenol	76.47
triacetin	76.64
span 80	56.23
1,4-butanediol	24.98
1,1-dichloroethane	72.11
2-methyl-1-pentanol	27.51
methyl formate	111.0
2-methyl-1-butanol	28.21
n-decane	0.7
butyronitrile	28.41
3,7-dimethyl-1-octanol	12.59
1-chlorooctane	5.49
1-chlorotetradecane	2.22
n-nonane	0.58
undecane	0.51
tert-butylcyclohexane	1.68
cyclooctane	0.76
cyclopentanol	51.63
tetrahydropyran	45.87
tert-amyl methyl ether	28.34
2,5,8-trioxanonane	132.38
1-hexene	6.01
2-isopropoxyethanol	58.34
2,2,2-trifluoroethanol	69.79
methyl butyrate	59.86

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