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37421-08-2 molecular structure
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2-(2-ethoxyethoxy)ethan-1-(2H)ol

ChemBase ID: 137637
Molecular Formular: C6H14O3
Molecular Mass: 134.17356
Monoisotopic Mass: 134.09429431
SMILES and InChIs

SMILES:
OCCOCCOCC
Canonical SMILES:
OCCOCCOCC
InChI:
InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
InChIKey:
XXJWXESWEXIICW-UHFFFAOYSA-N

Cite this record

CBID:137637 http://www.chembase.cn/molecule-137637.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-ethoxyethoxy)ethan-1-(2H)ol
IUPAC Traditional name
2-(2-ethoxyethoxy)ethan(2H)ol
Synonyms
2-(2-Ethoxyethoxy)ethan(ol-d)
二乙二醇乙醚-d
CAS Number
37421-08-2
EC Number
253-502-9
MDL Number
MFCD00002873
PubChem SID
24850077
162231899
PubChem CID
2723953

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
164496 external link Add to cart Please log in.
Data Source Data ID
PubChem 2723953 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors
H Donor LogD (pH = 5.5) -0.25572014 
LogD (pH = 7.4) -0.25572014  Log P -0.25572014 
Molar Refractivity 35.0969 cm3 Polarizability 13.889778 Å3
Polar Surface Area 38.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
204.8 °F expand Show data source
96 °C expand Show data source
Density
1.006 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.426(lit.) expand Show data source
Mass Shift
M+1 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H331 expand Show data source
GHS Precautionary statements
P261-P311 expand Show data source
Isotopic Purity
97 atom % D expand Show data source
Mol. Weight
mol wt 135.15 by atom % calculation expand Show data source
Linear Formula
C2H5OCH2CH2OCH2CH2OD expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 164496 external link
Packaging
50 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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