1,5,9-Trimethylcyclododeca-1,5,9-triene
Basic information
- CAS
21064-19-7- Standard SMILES
CC1=CCCC(C)=CCCC(C)=CCC1- InChIKey
XOTMHDVYZZBKEJ-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
See also: 1,5,9-Cyclododecatriene, 1,5,9-trimethyl- (annotation moved to).
Names & identifiers
- Preferred name
- 1,5,9-Trimethylcyclododeca-1,5,9-triene
- IUPAC
- 1,5,9-trimethylcyclododeca-1,5,9-triene
- English name
- Trimethyl-1,5,9-cyclododecatriene
- Molecular formula
- C15H24
- Molecular weight
- 204.35
Names & synonyms
1,5,9-Trimethylcyclododeca-1,5,9-trieneSCHEMBL2897875XOTMHDVYZZBKEJ-UHFFFAOYSA-N1,5,9,-TRIMETHYL CYCLODODECATRIENE1,5,9-Cyclododecatriene, 1,5,9-trimethyl-Einecs 244-190-5TRIMETHYLCYCLODODECATRIENE1,5,9-TRIMETHYL CYCLODODECATRIENE1,5 9-TRIMETHYL-1,5 9-CYCLODODECATRIENE1,5 9-TRIMETHYL-1,5 9-CYCLODODECATRIENE MIXTURE OF ISOMERS
Database identifiers
- CAS
21064-19-7- PubChem CID
- 88771
- DTXSID
DTXSID4066674
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 138 °C · 138 °C(Press: 13 Torr)
- Density
- 0.828 · 0.828±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,5,9-Cyclododecatriene, 1,5,9-trimethyl- (21064-19-7)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H413
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314-H413
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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Related reactions
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Compound notes
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