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Isobornyl Acrylate
CAS: 5888-33-5 | C13H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5888-33-5
Molecular Formula:
C13H20O2
Molecular Weight:
208.30099999999996 g/mol
Names and Synonyms:
Isobornyl Acrylate
SR 506 (acrylate)
IBOA
Al-co-cure IBA
Isobornyl acrylate
QM 589
exo-Isobornyl acrylate
Acrylic acid, isobornyl ester
2-Propenoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-
2-Propenoic acid, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
Visiomer Terra IBOA
SR 506HP
Etermer 70
IBOA-B
GM 61Q00
SR 506C
Visiomer IBOA
Miramer M 1121
Miramer M 1140
M 1140
exo-1,7,7-Trimethylbicyclo[2. 2.1]hept-2-yl acrylate
Sarbio 5102
IBOA-MB 602
IBOA-MB 302
RM 1002
Photomer 4012
SR 506NS
EM 70
IBXA
Sartomer SR 506D
Kayarad RM 1002
Sartomer SR 560
SR 560
AgiSyn 2870
Sipomer IBOA-HP
NK Ester A-IB
M 8130
IBA
Sartomer 506D
Sipomer IBOA-HP-STD
SR 506D
Genomer 1121
Sipomer HP
MPL 214
Newfrontier IBA
Aronix M 156
M 156
SR 506A
Sartomer SR 506
Ebecryl IBOA-B
Sartomer 506
Ebecryl IBOA
Light Acrylate IB-XA
SR 506
Identifiers:
SMILES:
C=CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChI:
InChI=1/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3/t9-,10-,13+/s2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 208.30099999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 208.14632988 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 15 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.9304000000000014 | RDKit |
| molecular_mass | 208.30 g/mol | Legacy Database |
| cas-boiling-point | 104-106 °C @ Press: 4.5 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OC1CC2CCC1(C)C2(C)C)C=C None | Legacy Database |
| cas-inchi | InChI=1/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3/t9-,10-,13+/s2 None | Legacy Database |
| cas-inchi-key | InChIKey=PSGCQDPCAWOCSH-YFGZVMCONA-N None | Legacy Database |
| cas-name | Isobornyl acrylate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 59.30600000000004 | RDKit |
