CIS-9, TRANS-11-TETRADECADIENOL
- Iupac Name：(9Z,11E)-tetradeca-9,11-dien-1-ol
- CAS No.: 65726-40-1
- Molecular Weight：210.361
- Modify Date.: 2022-11-05 08:11
1. Names and Identifiers
- 1.1 Name
- CIS-9, TRANS-11-TETRADECADIENOL
- 1.2 Synonyms
(Z,E)-9,11-TDDOL (Z,Z)-9,11-Tetradecadien-1-ol 9,11-Tetradecadien-1-ol, (9Z,11E)- cis-9,trans-11-tetradecadien-1-yl acetate
- 1.3 CAS No.
- 65726-40-1
- 1.4 CID
- 13699784
- 1.5 Molecular Formula
- C14H26O (isomer)
- 1.6 Inchi
- InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-6,15H,2,7-14H2,1H3/b4-3+,6-5-
- 1.7 InChIkey
- ZKCFLTTYWFSLDK-ICWBMWKASA-N
- 1.8 Canonical Smiles
- CCC=CC=CCCCCCCCCO
- 1.9 Isomers Smiles
- CC/C=C/C=C\CCCCCCCCO
2. Properties
- 2.1 Precise Quality
- 210.19800
- 2.1 PSA
- 20.23000
- 2.1 logP
- 4.23180
- 2.1 StorageTemp
- -20°C
3. 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
4. Synthesis Route
65726-40-1Total: 20 Synthesis Route
5. Computational chemical data
- Molecular Weight: 210.361g/mol
- Molecular Formula: C14H26O
- Compound Is Canonicalized: True
- XLogP3-AA: 4.8
- Exact Mass: 210.198365449
- Monoisotopic Mass: 210.198365449
- Complexity: 159
- Rotatable Bond Count: 10
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 20.2
- Heavy Atom Count: 15
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgIEAIAAQAAQAAEgAAIgAOAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Recommended Suppliers
7. Realated Product Infomation
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