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Molecule
ID:107150
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₄O₃
Molecular Mass
88.06206
Exact Mass
88.01604399
Charge
0
InChI
InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2
InChIKey
KMTRUDSVKNLOMY-UHFFFAOYSA-N
Canonic Smiles
O=C1OCCO1
Isomeric Smiles
O=C1OCCO1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.37031454
LogD (pH = 7.4)
0.37031454
Log P
0.37031454
Molar Refractivity
17.0674
Polarizability
7.1503153
Polar Surface Area
35.53
Rotatable Bonds
0
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
No Data Available
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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
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Academic Data
Names and Identifiers
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Synonyms
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IUPAC Traditional name
•
IUPAC name
Registration numbers
Properties
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Safety Information
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Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Wikipedia
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05206178
05202735
InterBioScreen
BB_SC-6807
Sigma Aldrich
535559
E26258
03519
676802
Enamine
EN300-75327
Bide Pharmatech
BD42140
Alfa Aesar
A15735
Academic Data
Wikipedia
Ethylene_carbonate
PubChem
7303
Names and Identifiers
Synonyms
GLYCOL CARBONATE
2-DIOXOLONE
1,3-dioxolan-2-one
ethylene glycol carbonate
Ethylene carbonate
Ethylene carbonate
1,3-二氧戊环-2-酮
碳酸乙烯酯
1,3-Dioxolan-2-one
碳酸亚乙酯
IUPAC Traditional name
ethylene carbonate
IUPAC name
1,3-dioxolan-2-one
Registration numbers
CAS Number
96-49-1
PubChem CID
7303
Wikipedia Title
Ethylene_carbonate
Chemspider ID
7030
EC Number
202-510-0
PubChem SID
24877564
24885334
162093248
24894476
MDL Number
MFCD00005382
Beilstein Number
106249
Molecule Details
MP Biomedicals
05206178
MP Biomedicals Rare Chemical collection
05202735
MP Biomedicals Rare Chemical collection
Wikipedia
Ethylene_carbonate
Sigma Aldrich
E26258
Packaging
100, 500 g in poly bottle
3 kg in poly bottle
676802
Packaging
1, 6×1 L in aluminum bottle
References
PubChem Literature
From Data Sources
•
Ethylene oxide equivalent for introduction of the 2-hydroxyethyl group, by reaction with various nucleophiles. Reacts with thiols (K
2
CO
3
/
18-crown-6) to give 2-hydroxyethyl sulfides:
Synthesis
, 382 (1986).
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
PubChem CID
•
Wikipedia Title
•
Chemspider ID
•
EC Number
•
PubChem SID
•
MDL Number
•
Beilstein Number
Properties
Safety Information
MSDS Link
Download link
Source
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Source
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Source
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Source
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Source
Download link
Source
Risk Statements
R
41
Source
36/37/38
Source
Safety Statements
S26 39
Source
26
-
36
Source
26
-
37
-
60
Source
German water hazard class
1
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
GHS Hazard statements
H315
-
H319
-
H335
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
European Hazard Symbols
Irritant (Xi)
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
RTECS
FF9550000
Source
GHS Signal Word
Warning
Source
TSCA Listed
是
Source
Product Information
Certificate of Analysis
Download link
Source
Download link
Source
Grade
anhydrous
Source
puriss.
Source
Empirical Formula (Hill Notation)
C3H4O3
Source
Impurities
<0.005% water
Source
≤0.005% water
Source
99%
Source
98%
Source
≥99.0% (GC)
Source
95%
Source
95+%
Source
Physical Property
Auto Ignition Point
465°C (869°F)
Source
Density
1.3210 g/cm
3
Source
1.321 g/mL at 25 °C(lit.)
Source
1.320
Source
Boiling Point
260.7°C
Source
243-244 °C/740 mmHg(lit.)
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244-245°C
Source
34 - 37°C
Source
35-38 °C(lit.)
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35-38 °C
Source
37 - 39°C
Source
35-37°C
Source
White to yellow solid
Source
150°C (302°F)
Source
289.4 °F
Source
143 °C
Source
160°C(320°F)
Source
Soluble in water
Source
Miscible (40%) with water, alchohol ethyl acetate, benzene and chloroform. Soluble in ether, n-Butanol, and carbon tetrachloride.
Source
0.02 mmHg ( 36.4 °C)
Source
3.04 (vs air)
Source
-0.902
Source
Purity
Melting Point
Apperance
Flash Point
Solubility
Vapor Pressure
Vapor Density
Hydrophobicity(logP)