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103-11-7 molecular structure
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2-ethylhexyl prop-2-enoate

ChemBase ID: 108397
Molecular Formular: C11H20O2
Molecular Mass: 184.2753
Monoisotopic Mass: 184.14632988
SMILES and InChIs

SMILES:
CCCCC(CC)COC(=O)C=C
Canonical SMILES:
CCCCC(COC(=O)C=C)CC
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

Cite this record

CBID:108397 http://www.chembase.cn/molecule-108397.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethylhexyl prop-2-enoate
IUPAC Traditional name
2-ethylhexyl acrylate
Synonyms
(±)-Acrylic acid 2-ethylhexyl ester
2-Ethylhexyl acrylate
2-ETHYLHEXYL ACRYLATE
Acrylic acid 2-ethylhexyl ester
(±)-丙烯酸-2-乙基己酯
2-乙基己基丙烯酸酯
CAS Number
103-11-7
EC Number
203-080-7
MDL Number
MFCD00009495
Beilstein Number
1765828
PubChem SID
162094375
24885123
24857489
PubChem CID
7636

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9347525  LogD (pH = 7.4) 3.9347525 
Log P 3.9347525  Molar Refractivity 54.2087 cm3
Polarizability 21.513336 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-90°C expand Show data source
-90°C expand Show data source
Boiling Point
130°C/50mm expand Show data source
215-219 °C(lit.) expand Show data source
229°C expand Show data source
Flash Point
174.2 °F expand Show data source
79 °C expand Show data source
79°C(174°F) expand Show data source
Auto Ignition Point
496 °F expand Show data source
Density
0.884 g/mL at 20 °C expand Show data source
0.885 expand Show data source
0.885 g/mL at 25 °C(lit.) expand Show data source
0.887 g/ml expand Show data source
Refractive Index
1.4360 expand Show data source
n20/D 1.436 expand Show data source
n20/D 1.436(lit.) expand Show data source
Vapor Pressure
0.15 mmHg ( 20 °C) expand Show data source
Vapor Density
6.4 (vs air) expand Show data source
RTECS
AT0855000 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
1 expand Show data source
Risk Statements
37/38-43 expand Show data source
R:37/38-43 expand Show data source
Safety Statements
36/37 expand Show data source
36/37-46 expand Show data source
S:24-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
Explode Limits
6.4 % expand Show data source
GHS Hazard statements
H315-H317-H335 expand Show data source
H315-H317-H335-H227 expand Show data source
GHS Precautionary statements
P210-P261-P302+P352-P321-P405-P501A expand Show data source
P261-P280 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99.5% (GC) expand Show data source
98% expand Show data source
Grade
analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Contains
~0.01% hydroquinone monomethyl ether as stabilizer expand Show data source
≥0.001-≤0.11% monomethyl ether hydroquinone as stabilizer expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH2=CHCOOCH2CH(C2H5)(CH2)3CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 290815 external link
Packaging
1, 3 L in poly bottle
18 L in steel drum
25 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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