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Molecule
ID:108397
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₁H₂₀O₂
Molecular Mass
184.2753
Exact Mass
184.14632988
Charge
0
InChI
InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3
InChIKey
GOXQRTZXKQZDDN-UHFFFAOYSA-N
Canonic Smiles
CCCCC(COC(=O)C=C)CC
Isomeric Smiles
CCCCC(CC)COC(=O)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9347525
LogD (pH = 7.4)
3.9347525
Log P
3.9347525
Molar Refractivity
54.2087
Polarizability
21.513336
Polar Surface Area
26.3
Rotatable Bonds
8
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
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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IUPAC name
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Synonyms
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IUPAC Traditional name
Registration numbers
Properties
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Product Information
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Physical Property
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Safety Information
Related Proteins
Molecular Spectra
Molecule Details
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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
05207207
Sigma Aldrich
290815
A1915
67262
Alfa Aesar
L03854
Academic Data
PubChem
7636
Names and Identifiers
IUPAC name
2-ethylhexyl prop-2-enoate
Synonyms
2-ETHYLHEXYL ACRYLATE
(±)-丙烯酸-2-乙基己酯
2-乙基己基丙烯酸酯
(±)-Acrylic acid 2-ethylhexyl ester
2-Ethylhexyl acrylate
Acrylic acid 2-ethylhexyl ester
IUPAC Traditional name
2-ethylhexyl acrylate
Registration numbers
EC Number
203-080-7
CAS Number
103-11-7
PubChem CID
7636
PubChem SID
162094375
24857489
24885123
Beilstein Number
1765828
MDL Number
MFCD00009495
Molecule Details
Sigma Aldrich
290815
Packaging
1, 3 L in poly bottle
18 L in steel drum
25 mL in poly bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
CAS Number
•
PubChem CID
•
PubChem SID
•
Beilstein Number
•
MDL Number
Properties
Product Information
Certificate of Analysis
Download link
Source
Linear Formula
CH2=CHCOOCH2CH(C2H5)(CH2)3CH3
Source
Purity
98%
Source
≥99.5% (GC)
Source
Contains
≥0.001-≤0.11% monomethyl ether hydroquinone as stabilizer
Source
~0.01% hydroquinone monomethyl ether as stabilizer
Source
Grade
analytical standard
Source
Shelf Life
(limited shelf life, expiry date on the label)
Source
Physical Property
Melting Point
-90°C
Source
-90°C
Source
Boiling Point
229°C
Source
215-219 °C(lit.)
Source
130°C/50mm
Source
Density
0.887 g/ml
Source
0.885 g/mL at 25 °C(lit.)
Source
0.884 g/mL at 20 °C
Source
0.885
Source
79 °C
Source
174.2 °F
Source
79°C(174°F)
Source
n20/D 1.436(lit.)
Source
n20/D 1.436
Source
1.4360
Source
0.15 mmHg ( 20 °C)
Source
496 °F
Source
6.4 (vs air)
Source
Safety Information
RTECS
AT0855000
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Irritant (Xi)
R:
37/38
-
43
Source
37/38
-
43
Source
S:
24
-
37
Source
36/37
Source
36/37
-
46
Source
6.4 %
Source
Warning
Source
1
Source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
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
H315
-
H317
-
H335
Source
H315
-
H317
-
H335
-
H227
Source
P261
-
P280
Source
P210
-
P261
-
P302+P352
-
P321
-
P405
-P501A
Source
2-8°C
Source
是
Source
Source
Source
Flash Point
Refractive Index
Vapor Pressure
Auto Ignition Point
Vapor Density
European Hazard Symbols
Risk Statements
Safety Statements
Explode Limits
GHS Signal Word
German water hazard class
Personal Protective Equipment
GHS Pictograms
GHS Hazard statements
GHS Precautionary statements
Storage Temperature
TSCA Listed