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5168-91-2 molecular structure
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3,6,9,12,15,18-hexaoxatetratriacontan-1-ol

ChemBase ID: 131918
Molecular Formular: C28H58O7
Molecular Mass: 506.75592
Monoisotopic Mass: 506.4182542
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES:
CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C28H58O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-30-19-21-32-23-25-34-27-28-35-26-24-33-22-20-31-18-16-29/h29H,2-28H2,1H3
InChIKey:
UOFCAQWHTQFNHS-UHFFFAOYSA-N

Cite this record

CBID:131918 http://www.chembase.cn/molecule-131918.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6,9,12,15,18-hexaoxatetratriacontan-1-ol
IUPAC Traditional name
3,6,9,12,15,18-hexaoxatetratriacontan-1-ol
Synonyms
C16E6
Hexadecylhexaglycol
Hexaethylene glycol monohexadecyl ether
CAS Number
5168-91-2
MDL Number
MFCD00043369
Beilstein Number
1806735
PubChem SID
162226195
24874137
PubChem CID
4138878

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4138878 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors
H Donor LogD (pH = 5.5) 5.858293 
LogD (pH = 7.4) 5.858293  Log P 5.858293 
Molar Refractivity 143.6079 cm3 Polarizability 57.076202 Å3
Polar Surface Area 75.61 Å2 Rotatable Bonds 32 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
39-40 °C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (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)15(OCH2CH2)6OH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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