Home > Compound List > Compound details
2420-29-3 molecular structure
click picture or here to close

3,6,9,12,15,18-hexaoxahexatriacontan-1-ol

ChemBase ID: 132376
Molecular Formular: C30H62O7
Molecular Mass: 534.80908
Monoisotopic Mass: 534.44955432
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES:
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C30H62O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-32-21-23-34-25-27-36-29-30-37-28-26-35-24-22-33-20-18-31/h31H,2-30H2,1H3
InChIKey:
BGTZEQVWUZNMIY-UHFFFAOYSA-N

Cite this record

CBID:132376 http://www.chembase.cn/molecule-132376.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6,9,12,15,18-hexaoxahexatriacontan-1-ol
IUPAC Traditional name
3,6,9,12,15,18-hexaoxahexatriacontan-1-ol
Synonyms
C18E6
Octadecylhexaglycol
Polyoxyethylene (6) stearyl ether
Hexaethylene glycol monooctadecyl ether
CAS Number
2420-29-3
MDL Number
MFCD00043370
PubChem SID
24898168
162226653
PubChem CID
75493

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 75493 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors
H Donor LogD (pH = 5.5) 6.7474303 
LogD (pH = 7.4) 6.7474303  Log P 6.7474303 
Molar Refractivity 152.8099 cm3 Polarizability 60.756096 Å3
Polar Surface Area 75.61 Å2 Rotatable Bonds 34 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
45-50 °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
Linear Formula
CH3(CH2)17(OCH2CH2)6OH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle