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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
Common Name
SR 506 (acrylate)
Synonym
IBOA
Synonym
Al-co-cure IBA
Synonym
Isobornyl acrylate
Synonym
QM 589
Synonym
exo-Isobornyl acrylate
Synonym
Acrylic acid, isobornyl ester
Synonym
2-Propenoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-
Synonym
2-Propenoic acid, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
Synonym
Visiomer Terra IBOA
Synonym
SR 506HP
Synonym
Etermer 70
Synonym
IBOA-B
Synonym
GM 61Q00
Synonym
SR 506C
Synonym
Visiomer IBOA
Synonym
Miramer M 1121
Synonym
Miramer M 1140
Synonym
M 1140
Synonym
exo-1,7,7-Trimethylbicyclo[2. 2.1]hept-2-yl acrylate
Synonym
Sarbio 5102
Synonym
IBOA-MB 602
Synonym
IBOA-MB 302
Synonym
RM 1002
Synonym
Photomer 4012
Synonym
SR 506NS
Synonym
EM 70
Synonym
IBXA
Synonym
Sartomer SR 506D
Synonym
Kayarad RM 1002
Synonym
Sartomer SR 560
Synonym
SR 560
Synonym
AgiSyn 2870
Synonym
Sipomer IBOA-HP
Synonym
NK Ester A-IB
Synonym
M 8130
Synonym
IBA
Synonym
Sartomer 506D
Synonym
Sipomer IBOA-HP-STD
Synonym
SR 506D
Synonym
Genomer 1121
Synonym
Sipomer HP
Synonym
MPL 214
Synonym
Newfrontier IBA
Synonym
Aronix M 156
Synonym
M 156
Synonym
SR 506A
Synonym
Sartomer SR 506
Synonym
Ebecryl IBOA-B
Synonym
Sartomer 506
Synonym
Ebecryl IBOA
Synonym
Light Acrylate IB-XA
Synonym
SR 506
Synonym
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 2.9304000000000014 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 59.30600000000004 | RDKit |