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56049-79-7 molecular structure
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2-[2-(tetradecyloxy)ethoxy]ethan-1-ol

ChemBase ID: 156683
Molecular Formular: C18H38O3
Molecular Mass: 302.49252
Monoisotopic Mass: 302.28209508
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCOCCOCCO
Canonical SMILES:
CCCCCCCCCCCCCCOCCOCCO
InChI:
InChI=1S/C18H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-17-18-21-16-14-19/h19H,2-18H2,1H3
InChIKey:
WNRNXKWTIJWZFQ-UHFFFAOYSA-N

Cite this record

CBID:156683 http://www.chembase.cn/molecule-156683.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(tetradecyloxy)ethoxy]ethan-1-ol
IUPAC Traditional name
2-[2-(tetradecyloxy)ethoxy]ethanol
Synonyms
2-(2-Tetradecyloxyethoxy)ethanol
C14E2
Tetradecyldiglycol
Diethylene glycol monotetradecyl ether
CAS Number
56049-79-7
MDL Number
MFCD00043352
Beilstein Number
1863460
PubChem SID
24859350
162250820
PubChem CID
4412728

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
32295 external link Add to cart Please log in.
Data Source Data ID
PubChem 4412728 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors
H Donor LogD (pH = 5.5) 5.157058 
LogD (pH = 7.4) 5.157058  Log P 5.157058 
Molar Refractivity 90.2319 cm3 Polarizability 35.88741 Å3
Polar Surface Area 38.69 Å2 Rotatable Bonds 18 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
31-32 °C expand Show data source
UN Number
3082 expand Show data source
MSDS Link
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
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
RID/ADR
UN 3082 9/PG 3 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)13(OCH2CH2)2OH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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