1. Namen und Bezeichner
- 1.1 Produktname
- 1-METHYL-1-CYCLOOCTEN
- 1.2 Synonyme
- Cycloocten, 1-Methyl;1-METHYL-1-CYCLOOCTEN;1-METHYLCYCLOOCTEN
- 1.3 CAS No.
- 933-11-9
- 1.4 CID
- 5352545
- 1.5 Summenformel
- C9H16
- 1.6 Inchi
- InChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h7H,2-6,8H2,1H3/b9-7-
- 1.7 InchiKey
- WFLPGXDWMZEHGP-CLFYSBASSA-N
- 1.8 Kanonisch SMILES
- CC1=CCCCCCC1
- 1.9 Isomere SMILES
- C/C/1=C/CCCCCC1
2. SDB-Informationen
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
3. Synthetischer Weg.
933-11-9Total: 10 Synthetischer Weg.
4. Vorläufer und Produkt
5. Computerchemische Daten
- Molecular Weight：124.22334g/mol
- Molecular Formula：C9H16
- Compound Is Canonicalized：True
- Exact Mass：3.5
- XLogP3-AA：124.125200510
- Monoisotopic Mass：124.125200510
- Complexity：101
- Rotatable Bond Count：0
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：0
- Topological Polar Surface Area：0
- Heavy Atom Count：：9
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：1
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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Tel:
Update Time:2024/09/17
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Tel:
Update Time:2019/11/25
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Tel:
Update Time:2010/12/18
7. Realisierte Produktinformationen
DE
