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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 Mass:
208.30 g/mol
Names and Synonyms:
Isobornyl Acrylate
SR 506
Light Acrylate IB-XA
Ebecryl IBOA
Sartomer 506
Ebecryl IBOA-B
Sartomer SR 506
SR 506A
M 156
Aronix M 156
Newfrontier IBA
MPL 214
Sipomer HP
Genomer 1121
SR 506D
Sipomer IBOA-HP-STD
Sartomer 506D
IBA
M 8130
NK Ester A-IB
Sipomer IBOA-HP
AgiSyn 2870
SR 560
Sartomer SR 560
Kayarad RM 1002
Sartomer SR 506D
IBXA
EM 70
SR 506NS
Photomer 4012
RM 1002
IBOA-MB 302
IBOA-MB 602
Sarbio 5102
exo-1,7,7-Trimethylbicyclo[2. 2.1]hept-2-yl acrylate
M 1140
Miramer M 1140
Miramer M 1121
Visiomer IBOA
SR 506C
GM 61Q00
IBOA-B
Etermer 70
SR 506HP
Visiomer Terra IBOA
2-Propenoic acid, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
2-Propenoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-
Acrylic acid, isobornyl ester
exo-Isobornyl acrylate
QM 589
Isobornyl acrylate
Al-co-cure IBA
IBOA
SR 506 (acrylate)
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
Key Properties
Boiling Point
104-106 °C @ Press: 4.5 Torr
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.30 g/mol | CAS Common Chemistry |
| 208.30099999999996 g/mol | RDKit | |
| 208.14632988 g/mol | RDKit | |
| 208.301 g/mol | RDKit | |
| Boiling Point | 104-106 °C @ Press: 4.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC1CC2CCC1(C)C2(C)C)C=C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=PSGCQDPCAWOCSH-YFGZVMCONA-N | CAS Common Chemistry |
| Name | Isobornyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| 3 | chempirical lib | |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.9304000000000014 | RDKit |
| 2.9304 | RDKit | |
| 3.59 | chempirical lib | |
| Molar Refractivity | 59.30600000000004 | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7692 | RDKit |
| 0.77 | chempirical lib |
Related Molecules
Other compounds with formula C13H20O2
