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3055-96-7 molecular structure
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3,6,9,12,15,18-hexaoxatriacontan-1-ol

ChemBase ID: 130957
Molecular Formular: C24H50O7
Molecular Mass: 450.6496
Monoisotopic Mass: 450.35565394
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C24H50O7/c1-2-3-4-5-6-7-8-9-10-11-13-26-15-17-28-19-21-30-23-24-31-22-20-29-18-16-27-14-12-25/h25H,2-24H2,1H3
InChIKey:
OJCFEGKCRWEVSN-UHFFFAOYSA-N

Cite this record

CBID:130957 http://www.chembase.cn/molecule-130957.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6,9,12,15,18-hexaoxatriacontan-1-ol
IUPAC Traditional name
3,6,9,12,15,18-hexaoxatriacontan-1-ol
Synonyms
Hexaethyleneglycol monododecyl ether solution
Hexaethyleneglycol monododecyl ether 1 mM solution
Detergent Screening Solution 18/Fluka kit no 66317
C12E6
Dodecylhexaglycol
Polyoxyethylene (6) lauryl ether
Hexaethylene glycol monododecyl ether
CAS Number
3055-96-7
EC Number
221-282-3
231-791-2
MDL Number
MFCD00042660
Beilstein Number
1715367
PubChem SID
162225235
24849806
24874134
PubChem CID
18282

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18282 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors
H Donor LogD (pH = 5.5) 4.080018 
LogD (pH = 7.4) 4.080018  Log P 4.080018 
Molar Refractivity 125.2039 cm3 Polarizability 49.721863 Å3
Polar Surface Area 75.61 Å2 Rotatable Bonds 28 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
semisolid expand Show data source
RTECS
MP4780500 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-41-50 expand Show data source
Safety Statements
26-39-61 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H318-H400 expand Show data source
GHS Precautionary statements
P273-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (TLC) expand Show data source
Description
non-ionic expand Show data source
Cation Traces
Ca: ≤50 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤50 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤50 mg/kg expand Show data source
Mn: ≤50 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Product Line
BioXtra expand Show data source
Linear Formula
CH3(CH2)11(OCH2CH2)6OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 52044 external link
Other Notes
Non-ionic surfactant which effectively releases histamine from rat peritoneal mast cells1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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