Basic information
- CAS
919-12-0- Standard SMILES
C#CC(C)(CC)CC- InChIKey
OVNWORSPZLORHV-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- 3-Ethyl-3-methylpent-1-yne
- IUPAC
- 3-ethyl-3-methylpent-1-yne
Names & synonyms
3-ethyl-3-methylpent-1-yneRefChem:501367974-848-31-Pentyne, 3-ethyl-3-methyl-919-12-03-ETHYL-3-METHYL-1-PENTYNE3-ethyl-3-methyl-pent-1-yneSCHEMBL3170209SCHEMBL9257238SCHEMBL9257241DTXSID90335131
Database identifiers
- CAS
919-12-0- PubChem CID
- 522996
- DTXSID
DTXSID90335131- EC Number
- 974-848-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98.5
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
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, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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