Registration Dossier
Registration Dossier
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EC number: 227-561-6 | CAS number: 5888-33-5
Reference substances
- IUPAC name:
- (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl prop-2-enoate
Inventory
- EC number:
- 227-561-6
- EC name:
- Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acrylate
- CAS number:
- 5888-33-5
- CAS number:
- 5888-33-5
Synonyms
- Names:
- 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-
- Identifier:
- IUPAC name
- (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl prop-2-enoate
- Identifier:
- IUPAC name
- [(1S, 2S, 4S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] prop-2-enoate
- Identifier:
- ChemSpider ID
- 16737281
- Identifier:
- common name
- IBOA
- Identifier:
- common name
- IsoBOrnyl Acrylate
- Identifier:
- other: InChl
- 1S/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+/m0/s1
- Identifier:
- other: SMILES notation
- C=CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
- Identifier:
- other: InChl
- InChI=1S/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+/m0/s1
- Identifier:
- other: InChl
- InChI=1S/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+/m0/s1
- Identifier:
- other: SMILES notation
- O=C(OC1C2(C(C(CC2)C1)(C)C)C)C=C
- Identifier:
- other: SMILES notation
- [H][C@]12CC[C@@](C)([C@@H](C1)OC(=O)C=C)C2(C)C
- 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acrylate
Molecular and structural information
- Molecular formula:
- C13H20O2
- Molecular weight:
- 208.297
- SMILES notation:
- CC1(C)[C@H]2CC[C@]1(C)[C@H](C2)OC(=O)C=C
- InChl:
- 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
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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