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Molecule
ID:104681
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₁H₂₄O₄
Molecular Mass
220.30586
Exact Mass
220.16745925
Charge
0
InChI
InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3
InChIKey
KVJHGPAAOUGYJX-UHFFFAOYSA-N
Canonic Smiles
CCOC(CC(OCC)OCC)OCC
Isomeric Smiles
CCOC(CC(OCC)OCC)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7589407
LogD (pH = 7.4)
1.7589407
Log P
1.7589407
Molar Refractivity
59.0644
Polarizability
23.777866
Polar Surface Area
36.92
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
Data Source
Names and Identifiers
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Synonyms
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IUPAC name
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IUPAC Traditional name
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Sigma Aldrich
References
Bioactivity
Names and Identifiers
Synonyms
Malonaldehyde tetraethyl acetal
1,1,3,3-TETRAETHOXYPROPANE
MALONALDEHYDE TETRAETHYLACETAL
Malonaldehyde bis(diethyl acetal)
1,1,3,3-四乙氧基丙烷
TEP
1,1,3,3-Tetraethoxypropane
丙二醛二乙缩醛
IUPAC name
1,1,3,3-tetraethoxypropane
IUPAC Traditional name
1,1,3,3-tetraethoxypropane
Registration numbers
CAS Number
122-31-6
EC Number
204-533-1
PubChem SID
24900611
162093092
24888696
MDL Number
MFCD00009240
Beilstein Number
1209619
PubChem CID
67147
Molecule Details
MP Biomedicals
02156783
Purity: 97%
1 ml = approx. 0.92 g
05201148
MP Biomedicals Rare Chemical collection
Sigma Aldrich
T9889
Packaging
25, 100, 500 mL in glass bottle
Registration numbers
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CAS Number
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EC Number
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PubChem SID
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MDL Number
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Beilstein Number
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PubChem CID
Properties
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Product Information
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Safety Information
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Physical Property
Properties
Product Information
Certificate of Analysis
Download link
Source
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Source
Purity
97%
Source
95%
Source
≥96%
Source
≥95.0% (GC)
Source
(C2H5O)2CHCH2CH(OC2H5)2
Source
purum
Source
Safety Information
Harmful (Xn)
Physical Property
0.92 g/ml
Source
0.919 g/ml
Source
0.919 g/mL at 25 °C(lit.)
Source
216°C
Source
220 °C(lit.)
Source
-90°C
Source
65 - 67°C
Source
Source
Flammable (F)
Source
Risk Statements
R:
22
Source
R:
10
-
22
Source
22
Source
Safety Statements
S:
36/37/39
Source
S:
16
-
36/37/39
Source
Storage Condition
2-8°C
Source
MSDS Link
Download link
Source
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RTECS
ON8750000
Source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
GHS Signal Word
Warning
Source
GHS Hazard statements
H302
Source
German water hazard class
3
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
Storage Temperature
2-8°C
Source
Refractive Index
n20/D 1.411(lit.)
Source
n20/D 1.411
Source
Flash Point
88 °C
Source
190.4 °F
Source
Hydrophobicity(logP)
0.643
Source
Linear Formula
Grade
European Hazard Symbols
Density
Boiling Point
Melting Point
Data Source
Commercial Catalog
MP Biomedicals
02156783
05201148
InterBioScreen
BB_SC-6634
Sigma Aldrich
129607
T9889
86570
Enamine
EN300-21271
Academic Data
PubChem
67147
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Data Source
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Commercial Catalog
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Academic Data
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay