Basic information
- CAS
78347-54-3- Standard SMILES
CCCCC1C=CC=C1- InChIKey
LDZPPZNDWQFMAU-UHFFFAOYSA-N- Molecular formula
- C9H14
- Average molar mass
- 122.21 g/mol
- Monoisotopic mass
- 122.10955045
Names & identifiers
- Preferred name
- 5-Butyl-1,3-cyclopentadiene
- IUPAC
- 5-butylcyclopenta-1,3-diene
Names & synonyms
1,3-Cyclopentadiene, 5-butyl-5-butyl-1,3-cyclopentadieneDTXSID401033294RefChem:534151DTXCID702870635-butylcyclopenta-1,3-diene90317-56-978347-54-31,3-Cyclopentadiene, 5-butylSCHEMBL337598SCHEMBL525644SCHEMBL8007982
Show more names
DTXSID90335974
Database identifiers
- CAS
78347-54-3- PubChem CID
- 528183
- DTXSID
DTXSID401033294- EC Number
- 620-694-4
- Nikkaji
- J910.011C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Cyclopentadiene, 5-butyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…