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Molecule
ID:5975
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₈H₁₈O₃
Molecular Mass
162.22672
Exact Mass
162.12559444
Charge
0
InChI
InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
InChIKey
RRQYJINTUHWNHW-UHFFFAOYSA-N
Canonic Smiles
CCOCCOCCOCC
Isomeric Smiles
CCOCCOCCOCC
Calculated Properties
JChem
LogD (pH = 7.4)
0.74
LogD (pH = 5.5)
0.74
Log P
0.74
Rotatable Bonds
8
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
-3.67
Polar Surface Area
27.69
Polarizability
19.75
Molar Refractivity
44.60
LOG S
-0.20
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
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IUPAC Traditional name
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Diethylene_glycol_diethyl_ether
PubChem
8179
DrugBank
DB08357
ChEBI
CHEBI:44664
Commercial Catalog
Sigma Aldrich
E4658
308277
32190
32188
Alfa Aesar
A17478
43464
Names and Identifiers
IUPAC Traditional name
bis (2-ethoxy ethyl) ether
bis (2-ethoxy ethyl) ether
Synonyms
1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE
bis(2-ethoxyethyl) ether
2-乙氧基乙基醚
二乙二醇二乙醚
二乙基卡必醇
diethyldiglycol
双(2-乙氧基乙基)醚
2-Ethoxyethyl ether
Diethylene glycol diethyl ether
ethyl diglyme
diethyl carbitol
Diethylene glycol diethyl ether
1-Ethoxy-2-(2-ethoxyethoxy)ethane
diethyldiethylene glycol
3,6,9-Trioxaundecane
Diethylene glycol diethyl ether, HPLC Grade
二乙二醇二乙醚, HPLC级
Diethyldiethylene glycol
Diethylene glycol diethyl ether
Diethyl carbitol
Ethyl diglyme
1-ethoxy-2-(2-ethoxyethoxy)ethane
1,5-diethoxy-3-oxapentane
3,6,9-Trioxaundecane
IUPAC name
1-ethoxy-2-(2-ethoxyethoxy)ethane
Molecule Details
Wikipedia
Diethylene_glycol_diethyl_ether
Sigma Aldrich
E4658
Packaging
1, 4 L in glass bottle
20 L in steel drum
500 mL in glass bottle
308277
Packaging
1 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
DrugBank
DB08357
Drug information: experimental
ChEBI
CHEBI:44664
A polyether that consists of undecane in which the carbon atoms at positions 3, 6 and 9 are replaced by oxygen atoms.
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PubChem Literature
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Bioactivity
PubChem BioAssay
Related Proteins
PDB Bank
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6SBB
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4PBT
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5CMZ
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7PLQ
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4XP4
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2JGL
2WHR
4US5
4XP9
5G3O
6M0F
7Q5U
3BMX
6QLB
2GYU
5LXM
6EQ8
6X0A
4R23
3WMR
4PQN
6HLZ
6Z9V
4ONY
4XP1
4XPF
4K3X
7Q5W
6M96
7P9E
5OEX
4XPH
6SS8
5IH2
6FUM
4XP5
6CPE
3CI6
4BWC
5YQW
4UE8
6EUN
Related Proteins
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PDB Bank
Registration numbers
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PubChem CID
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Chemspider ID
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Wikipedia Title
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CAS Number
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Beilstein Number
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EC Number
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MDL Number
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PubChem SID
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Merck Index
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Protein Data Bank
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NMRShiftDB Database
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Reaxys Registry
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PubMed Citation Links
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CompTox Database
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CHEBI ID
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Patent number
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SureChEMBL Database
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CHEMBL
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PDBeChem Database
•
ACToR Database
Registration numbers
PubChem CID
8179
Chemspider ID
21106583
Wikipedia Title
Diethylene_glycol_diethyl_ether
CAS Number
112-36-7
Beilstein Number
1699259
EC Number
203-963-7
MDL Number
MFCD00009254
PubChem SID
24858662
99444828
24859284
160969400
24894571
223442572
Merck Index
143118
Protein Data Bank
6sbb
4pbt
5cmz
7plq
4xp4
2jgl
2whr
4us5
4xp9
5g3o
6m0f
7q5u
3bmx
6qlb
2gyu
5lxm
NMRShiftDB Database
20097239
Reaxys Registry
1699259
PubMed Citation Links
3981663
11695613
CompTox Database
DTXSID3025047
CHEBI ID
CHEBI:44664
Patent number
KR100644968B
SureChEMBL Database
SCHEMBL16596
CHEMBL
CHEMBL1235106
PDBeChem Database
P4G
ACToR Database
112-36-7
6eq8
6x0a
4r23
3wmr
4pqn
6hlz
6z9v
4ony
4xp1
4xpf
4k3x
7q5w
6m96
7p9e
5oex
4xph
6ss8
5ih2
6fum
4xp5
6cpe
3ci6
4bwc
5yqw
4ue8
6eun
Properties
•
Physical Property
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Safety Information
•
Product Information
Properties
Physical Property
Refractive Index
n20/D 1.412
Source
n20/D 1.412(lit.)
Source
1.4120
Source
Flash Point
67 °C
Source
152.6 °F
Source
71°C(160°F)
Source
Boiling Point
180-190 °C(lit.)
Source
188-190°C
Source
0.909 g/mL at 25 °C(lit.)
Source
0.909
Source
0.5 mmHg ( 20 °C)
Source
5.6 (vs air)
Source
λ: 300 nm Amax: 0.10
Source
λ: 320 nm Amax: 0.04
Source
λ: 350-400 nm Amax: 0.01
Source
λ: 260 nm Amax: 1.00
Source
-44°C
Source
Liquid
Source
Safety Information
Irritant (Xi)
Product Information
≥98.0% (GC)
Source
≥99.0% (GC)
Source
≥98%
Source
≥99%
Source
99%
Source
99+%
Source
(C2H5OCH2CH2)2O
Source
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
German water hazard class
2
Source
Safety Statements
26
-
36
Source
26
Source
23
-
26
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
GHS Signal Word
Warning
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
RTECS
KN3160000
Source
GHS Hazard statements
H319
Source
H319
-
H227
-
H303
Source
GHS Precautionary statements
P305+P351+P338
Source
P210
-
P280
-
P305+P351+P338
-
P312
-
P403+P235
-P501A
Source
Risk Statements
36
Source
19
-
36
Source
TSCA Listed
是
Source
purum
Source
puriss. p.a.
Source
reagent grade
Source
for HPLC
Source
CHROMASOLV®
Source
Cation Traces
Ba: ≤0.1 mg/kg
Source
Al: ≤0.5 mg/kg
Source
Bi: ≤0.1 mg/kg
Source
K: ≤0.5 mg/kg
Source
Co: ≤0.02 mg/kg
Source
Zn: ≤0.1 mg/kg
Source
Ca: ≤0.5 mg/kg
Source
Ni: ≤0.02 mg/kg
Source
Mn: ≤0.02 mg/kg
Source
Na: ≤0.5 mg/kg
Source
Pb: ≤0.1 mg/kg
Source
Cd: ≤0.05 mg/kg
Source
Mg: ≤0.1 mg/kg
Source
Fe: ≤0.1 mg/kg
Source
Cr: ≤0.02 mg/kg
Source
Sr: ≤0.1 mg/kg
Source
Li: ≤0.1 mg/kg
Source
Cu: ≤0.02 mg/kg
Source
Mo: ≤0.1 mg/kg
Source
Impurities
≤0.005% peroxides (as H2O2)
Source
<0.050% water
Source
Purified By
glass distillation
Source
λ
H2O reference
Source
Density
Vapor Pressure
Vapor Density
Absorption Wavelength
Melting Point
Apperance
European Hazard Symbols
Purity
Linear Formula
Grade