CAS RN: 151-21-3

Sodium Dodecyl Sulfate [Reagent for Ion-Pair Chromatography]

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16 package records14 with current stock8 grade groups
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Batchno.20250424 25g Out of stock 8-10 business days Inquiry
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  • Product code: ICTI0352
  • Purity/Analytical Methods: >97.0%(T)
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151-21-3 / sodium dodecyl sulfate

Standard CAS: 151-21-3 Multi CAS: No

Basic Information

CAS
151-21-3
Multi CAS
No
Molecular Formula
C12H25NaO4S
Molecular Weight
288.380000
Exact Mass
288.137125
SMILES
CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKey
DBMJMQXJHONAFJ-UHFFFAOYSA-M

Physical Properties

Melting Point
399 to 405 °F (NTP, 1992) 204 °C
Density
greater than 1.1 at 68 °F (USCG, 1999)
Physical Description
Dodecyl sulfate, [sodium salt] appears as white to pale yellow paste or liquid with a mild odor. Sinks and mixes with water. (USCG, 1999) Liquid; Dry Powder; Other Solid; Liquid, Other Solid; Pellets or Large Crystals White or cream-colored solid; [Merck Index] White to pale yellow paste or liquid; [CAMEO] White powder; WHITE SOLID IN VARIOUS FORMS WITH CHARACTERISTIC ODOUR.
Appearance
White or cream-colored crystals, flakes, or powder Small, white or light-yellow crystals White to cream-colored crystals, flakes or powder
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under ambient temperatures, and keep it away from oxidizing materials. (NTP, 1992) Separated from strong oxidants and strong acids. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
67.49
TPSA
66.43

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
0.39
Consensus LogP
0.38
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant Acute Toxic Health Hazard
Signal
Danger Warning
GHS Hazard Statements
H228 (38.9%): Flammable solid [Danger Flammable solids] H302 (93.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (52.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (39.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P240, P241, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 P264, P270, P301+P317, P330, and P501 P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P391, P405, and P501 P210, P240, P241, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P405, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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