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1120-04-3 molecular structure
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sodium octadecyl sulfate

ChemBase ID: 145983
Molecular Formular: C18H37NaO4S
Molecular Mass: 372.53875
Monoisotopic Mass: 372.23102495
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
Canonical SMILES:
CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChI:
InChI=1S/C18H38O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKey:
NWZBFJYXRGSRGD-UHFFFAOYSA-M

Cite this record

CBID:145983 http://www.chembase.cn/molecule-145983.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium octadecyl sulfate
IUPAC Traditional name
sodium octadecyl sulfate
Synonyms
Octadecyl sulfate sodium salt
n-Octadecyl sulfate sodium salt
Sodium n-octadecyl sulfate
十八烷基硫酸酯 钠盐
正十八烷基硫酸钠
CAS Number
1120-04-3
EC Number
214-295-0
MDL Number
MFCD00007469
Beilstein Number
3640871
PubChem SID
162240183
24857689
PubChem CID
23673604

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23673604 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.4508551  H Acceptors
H Donor LogD (pH = 5.5) 4.707882 
LogD (pH = 7.4) 4.7078705  Log P 7.084269 
Molar Refractivity 95.419 cm3 Polarizability 39.0771 Å3
Polar Surface Area 66.43 Å2 Rotatable Bonds 18 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
176-180°C expand Show data source
211-213 °C(lit.) expand Show data source
RTECS
WT1170000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
93% expand Show data source
98% (dry wt.), water <7% expand Show data source
Grade
technical grade expand Show data source
Linear Formula
CH3(CH2)17OSO3Na expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 293946 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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