OCTADECANE-1-14C
- Iupac Name：octadecane
- CAS No.: 4391-54-2
- Molecular Weight：256.494
- Modify Date.: 2022-11-06 07:26
1. Names and Identifiers
- 1.1 Name
- OCTADECANE-1-14C
- 1.2 Synonyms
octadecane-1-14c
- 1.3 CAS No.
- 4391-54-2
- 1.4 CID
- 16211993
- 1.5 Molecular Formula
- C18H38 (isomer)
- 1.6 Inchi
- InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3/i1+2
- 1.7 InChIkey
- RZJRJXONCZWCBN-NJFSPNSNSA-N
- 1.8 Canonical Smiles
- CCCCCCCCCCCCCCCCCC
- 1.9 Isomers Smiles
- CCCCCCCCCCCCCCCCC[14CH3]
2. Properties
- 2.1 logP
- 7.26780
- 2.1 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Hazard Class
- 7
- 3.1 RIDADR
- UN 2910 7
- 3.1 WGK Germany
- 3
4. MSDS
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
5. Computational chemical data
- Molecular Weight: 256.494g/mol
- Molecular Formula: C18H38
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 256.30059320
- Monoisotopic Mass: 256.30059320
- Complexity: 112
- Rotatable Bond Count: 15
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Topological Polar Surface Area: 0
- Heavy Atom Count: 18
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 1
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Realated Product Infomation
skype
![PARAFORMALDEHYDE, [14C]](https://img.guidechem.com/structure/50659-38-6.gif)
![FORMALDEHYDE, [14C]](https://structimg.guidechem.com/9/9/313568.png)
![UREA, [14C]](https://structimg.guidechem.com/9/45/480104.png)
![CYANAMIDE, [14C]](https://structimg.guidechem.com/8/56/276715.png)