Home > Compound List > Compound details
3055-99-0 molecular structure
click picture or here to close

3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69-tricosaoxahenoctacontan-1-ol

ChemBase ID: 102315
Molecular Formular: C58H118O24
Molecular Mass: 1199.54312
Monoisotopic Mass: 1198.80130466
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C58H118O24/c1-2-3-4-5-6-7-8-9-10-11-13-60-15-17-62-19-21-64-23-25-66-27-29-68-31-33-70-35-37-72-39-41-74-43-45-76-47-49-78-51-53-80-55-57-82-58-56-81-54-52-79-50-48-77-46-44-75-42-40-73-38-36-71-34-32-69-30-28-67-26-24-65-22-20-63-18-16-61-14-12-59/h59H,2-58H2,1H3
InChIKey:
IEQAICDLOKRSRL-UHFFFAOYSA-N

Cite this record

CBID:102315 http://www.chembase.cn/molecule-102315.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69-tricosaoxahenoctacontan-1-ol
IUPAC Traditional name
3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69-tricosaoxahenoctacontan-1-ol
Synonyms
Polyethylene glycol dodecyl ether
Polyoxyethylene (23) lauryl ether
Brij® 35
Hydroxypolyethoxydodecane
Lauromacrogol
Macrogol lauryl ether
Polyethylene glycol 400 dodecyl ether
Thesit®
Polyethylene glycol dodecyl ether solution
Thesit® solution
Brij® L4
BRIJ 35
Polyoxyethylene 23 Lauryl Ether
Capillary coating solution
Brij 35
C12E23
Brij® L23
Brij® 35 solution
Brij® L23 solution
Polyoxyethylene 9-lauryl ether
Nonaethylene glycol monododecyl ether
Dodecyl nonaethylene glycol ether
Dodecylnonaglycol
Polidocanol
DODECYLPOLY(ETHYLENE GLYCOL ETHER)
C12E10
Polyoxyethylene (10) lauryl ether
Decaethylene glycol mono-dodecyl ether
Brij? 35
Tricosaethylene glycol mono-n-dodecyl ether
四聚乙二醇单月桂醚
聚氧乙烯(23)月桂醚
聚乙二醇 (400) 单月桂酸酯
四聚乙二醇单月桂醚 溶液
Thesit® 溶液
Brij® 30
Brij® L23
毛细管柱固定液
Brij® 35 溶液
Brij® L23 溶液
Brij? L23 聚氧乙烯月桂醚
CAS Number
3055-99-0
9002-92-0
EC Number
500-002-6
231-791-2
221-284-4
MDL Number
MFCD00080891
Beilstein Number
1900171
PubChem SID
24849848
24889081
24889082
24849855
24898176
24849844
24891758
24849854
162088508
24899063
PubChem CID
2724258

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors 24 
H Donor LogD (pH = 5.5) 3.2814345 
LogD (pH = 7.4) 3.2814345  Log P 3.2814345 
Molar Refractivity 312.9434 cm3 Polarizability 124.35176 Å3
Polar Surface Area 232.52 Å2 Rotatable Bonds 79 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.1 g/mL, clear, very faintly yellow expand Show data source
H2O: soluble40 mg/mL at 20 °C, clear, colorless expand Show data source
Apperance
semisolid (with melting point ~24 °C.) expand Show data source
Melting Point
39-43 °C expand Show data source
41- 45°C expand Show data source
41-45 °C(lit.) expand Show data source
41-45°C expand Show data source
ca 35-40°C expand Show data source
Boiling Point
100 °C(lit.) expand Show data source
100°C expand Show data source
Flash Point
> 148°C expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
~0.95 g/mL at 20 °C expand Show data source
1.00 g/mL at 20 °C expand Show data source
1.01 g/mL at 20 °C expand Show data source
1.05 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.333 expand Show data source
n20/D 1.346 expand Show data source
n20/D 1.347 expand Show data source
n20/D 1.453 expand Show data source
Vapor Pressure
<1 mmHg ( 20 °C) expand Show data source
Critical Micelle Concentration
0.09 expand Show data source
0.1 expand Show data source
0.1 mM(20-25°C) expand Show data source
91 μM expand Show data source
Conductivity
≤15 μS/cm at 20 °C expand Show data source
Aggregation Number of Micelle
20-40 expand Show data source
40 expand Show data source
Transition Temperature
cloud point >100 °C expand Show data source
cloud point ≥100 °C expand Show data source
Hydrophilic Lipophilic Balance
16 expand Show data source
16.9 expand Show data source
9.7 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Room Temperature (15-30°C), Desiccate expand Show data source
RTECS
JR5990000 expand Show data source
MD0875000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3082 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-38-41 expand Show data source
36/37/38 expand Show data source
41 expand Show data source
R:22-36/37/38 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
26-37-60 expand Show data source
26-39 expand Show data source
S:25-26-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318 expand Show data source
H302-H315-H319-H335 expand Show data source
H315-H318 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves expand Show data source
RID/ADR
UN 3082 9/PG 3 expand Show data source
Concentration
~0.5% in H2O expand Show data source
~10% in H2O expand Show data source
0.50 % (w/w) (20°C) expand Show data source
10% in H2O expand Show data source
30 % (w/v) expand Show data source
Grade
for HPCE expand Show data source
for membrane research expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
in accordance for fluorescence emission expand Show data source
in accordance for HPCE expand Show data source
suitable for Stein-Moore chromatography expand Show data source
Description
non-ionic expand Show data source
Impurities
≤1 ppm peroxides (as H2O2) expand Show data source
≤150 μM sulfhydryl oxidizing substances (carbonyls, peroxides) expand Show data source
≤2% water expand Show data source
Cation Traces
Ca: ≤10 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
K: ≤500 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mg: ≤50 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤500 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Mol. Weight
average Mn ~1,198 expand Show data source
average mol wt 583 expand Show data source
estimated mol wt 1198 expand Show data source
micellar avg mol wt 48,000 expand Show data source
abs.
UV absorption/200-800 nm in accordance expand Show data source
Linear Formula
C12H25(OCH2CH2)nOH, n~23 expand Show data source
HO(CH2CH2O)n(CH2)11CH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02101111 external link
Suitable for use in Stein-Moore Chromatography.
MP Biomedicals - 02151014 external link
Useful in solubilizing membrane proteins.
Sigma Aldrich - 88317 external link
Legal Information
Thesit is a registered trademark of Desitin Arzneimittel GmbH
Sigma Aldrich - 16005 external link
Other Notes
Non-ionic polyoxyethylene ether.1 Used for selective and rapid solubilization of microbial membrane aldehyde dehydrogenase.2
Legal Information
Brij is a registered trademark of Croda International PLC
Sigma Aldrich - 16012 external link
Packaging
package with 6 x 10 ml ampoules
Legal Information
Brij is a registered trademark of Croda International PLC
Sigma Aldrich - 16001 external link
Caution
product may precipitate on storage, resolve at 50°C
Legal Information
Brij is a registered trademark of Croda International PLC
Sigma Aldrich - 88315 external link
Application
Suggested substitute for Lubrol in the preparation of G protein from bovine brain.1
Legal Information
Thesit is a registered trademark of Desitin Arzneimittel GmbH
Sigma Aldrich - 858366 external link
Application
Detergent for ion-exchange chromatography.
Legal Information
Brij is a registered trademark of Uniqema Americas LLC
Sigma Aldrich - 17228 external link
Application
Non-ionic detergents (a polyoxyethylene) for the purification, extraction and solubilization of membrane-bound proteins. Also used in storage solutions for Taq polymerase: P. Loredano et al., Biotechnol. Appl. Biochem. 30, 27 (1999)
Legal Information
Thesit is a registered trademark of Desitin Arzneimittel GmbH
Sigma Aldrich - 16013 external link
Other Notes
Coating with Brij-35 reduces non-specific protein adsorption and lowers drastically electroosmotic pumping. This allows the pH to be varied without adversely affecting the flow rate1
Preparation Note
prepared under clean room conditions and filtered through a 0.2 μm membrane filter
Legal Information
Brij is a registered trademark of Croda International PLC
Sigma Aldrich - B4184 external link
Application
Do you have application information on this product that you would like to share?
Legal Information
Brij is a registered trademark of Croda International PLC
Sigma Aldrich - P1254 external link
Application
Non-ionic detergent. Useful for the extraction of membrane proteins. Typically used in the range of 0.1-1%.
Packaging
5 kg in poly bottle
500 g in poly bottle
Legal Information
Brij is a registered trademark of Uniqema Americas LLC
Sigma Aldrich - 03-3170 external link
Suitability
amino acid analysis
Legal Information
Brij is a registered trademark of Croda International PLC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Stein, W.H. and Moore, S.J., J. Biol. Chem. , 211 : 893 (1954).
  • • Non-ionic surfactant. Detergent for ion chromatography. Solubilizing agent for membrane proteins.
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle