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13344-00-8 molecular structure
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1,4-diethoxybutane

ChemBase ID: 296061
Molecular Formular: C8H18O2
Molecular Mass: 146.22732
Monoisotopic Mass: 146.13067982
SMILES and InChIs

SMILES:
CCOCCCCOCC
Canonical SMILES:
CCOCCCCOCC
InChI:
InChI=1S/C8H18O2/c1-3-9-7-5-6-8-10-4-2/h3-8H2,1-2H3
InChIKey:
IIHAWQOFHTYWGM-UHFFFAOYSA-N

Cite this record

CBID:296061 http://www.chembase.cn/molecule-296061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-diethoxybutane
IUPAC Traditional name
1,4-diethoxybutane
Synonyms
1,4-Butanediol diethyl ether
1,4-Diethoxybutane
1,4-二乙氧基丁烷
CAS Number
13344-00-8
MDL Number
MFCD00048581
PubChem SID
180681592
PubChem CID
232578

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
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Data Source Data ID
PubChem 232578 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 43.0632 cm3 Polarizability 16.847076 Å3
Polar Surface Area 18.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 1.3685123 
LogD (pH = 7.4) 1.3685123  Log P 1.3685123 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
165°C expand Show data source
Flash Point
48°C(115°F) expand Show data source
Density
0.84 expand Show data source
Refractive Index
1.4072 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN1993 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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