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112-60-7 molecular structure
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2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethan-1-ol

ChemBase ID: 2304
Molecular Formular: C8H18O5
Molecular Mass: 194.22552
Monoisotopic Mass: 194.11542368
SMILES and InChIs

SMILES:
OCCOCCOCCOCCO
Canonical SMILES:
OCCOCCOCCOCCO
InChI:
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChIKey:
UWHCKJMYHZGTIT-UHFFFAOYSA-N

Cite this record

CBID:2304 http://www.chembase.cn/molecule-2304.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethan-1-ol
IUPAC Traditional name
tetraethylene glycol
Synonyms
Tetraethylene Glycol
2,2'-(oxybis(ethyleneoxy)) diethanol
Tetraethylene glycol
TETRAGLYCOL
Bis[2-(2-hydroxyethoxy)ethyl] ether
Tetra(ethylene glycol)
Tetraglycol
Tetraethylene glycol
2,2'-((Oxybis(ethane-2,1-diyl))bis(oxy))diethanol
双[2-(2-羟基乙氧基)乙基]醚
四(乙二醇)
四甘醇
三缩四乙二醇
四甘醇/三缩四乙二醇
CAS Number
112-60-7
EC Number
203-989-9
MDL Number
MFCD00002879
Beilstein Number
1634320
PubChem SID
160965756
24888420
24846965
PubChem CID
8200

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 14.820126  H Acceptors
H Donor LogD (pH = 5.5) -1.3496056 
LogD (pH = 7.4) -1.3496057  Log P -1.3496056 
Molar Refractivity 47.6841 cm3 Polarizability 18.89041 Å3
Polar Surface Area 68.15 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 
Log P -0.98  LOG S -0.26 
Solubility (Water) 1.06e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-4°C expand Show data source
-5.6 °C(lit.) expand Show data source
-6°C expand Show data source
Boiling Point
313-314°C expand Show data source
314 °C(lit.) expand Show data source
314°C expand Show data source
Flash Point
176°C expand Show data source
193°C(379°F) expand Show data source
204 °C expand Show data source
399.2 °F expand Show data source
Density
1.09 g.ml expand Show data source
1.125 expand Show data source
1.125 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4590 expand Show data source
n20/D 1.459(lit.) expand Show data source
n20/D 1.460 expand Show data source
Vapor Pressure
<0.01 mmHg expand Show data source
0.001 mm Hg at 20 °C expand Show data source
Vapor Density
6.7 (vs air) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
XC2100000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
R:36/37/38 expand Show data source
Safety Statements
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
≥97.0% (GC) expand Show data source
≥99.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤0.1% water expand Show data source
≤0.5% water expand Show data source
Mol. Weight
average Mn 200 expand Show data source
Linear Formula
HO(CH2CH2O)3CH2CH2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02156795 external link
1 ml = approx. 1.09 g
DrugBank - DB02575 external link
Drug information: experimental
Sigma Aldrich - 110175 external link
Caution
Do not confuse with glycofurol, which is also sometimes called tetraglycol.
Packaging
1, 3 kg in poly bottle
100 g in poly bottle
20 kg in steel drum
Sigma Aldrich - 86662 external link
Caution
Do not confuse with glycofurol, which is also sometimes called tetraglycol.
Sigma Aldrich - 86660 external link
Caution
Do not confuse with glycofurol, which is also sometimes called tetraglycol.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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