3,3-Diethylpentane
Basic information
- CAS
1067-20-5- Standard SMILES
CCC(CC)(CC)CC- InChIKey
BGXXXYLRPIRDHJ-UHFFFAOYSA-N- Molecular formula
- C9H20
- Average molar mass
- 128.25 g/mol
- Monoisotopic mass
- 128.15650064
Names & identifiers
- Preferred name
- 3,3-Diethylpentane
- IUPAC
- 3,3-diethylpentane
- English name
- 3,3-Diethylpentane
- Molecular formula
- C9H20
- Molecular weight
- 128.26
Names & synonyms
3,3-DIETHYLPENTANE1067-20-5Pentane, 3,3-diethyl-K2SWY952L9NSC-74182UNII-K2SWY952L9DTXSID1073941NSC 74182RefChem:90787DTXCID8033015622-538-0BGXXXYLRPIRDHJ-UHFFFAOYSA-N
Show more names
InChI=1/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4HTetraethylmethaneNSC74182Pentane,3-diethyl-3,3-diethyl pentane3,3-diethyl-pentaneSCHEMBL231770SCHEMBL435551
Database identifiers
- CAS
1067-20-5- PubChem CID
- 14020
- DTXSID
DTXSID1073941- UNII
- K2SWY952L9
- EC Number
- 622-538-0
- Nikkaji
- J44.148A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 42.9
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- -33.1 °C · -33.1 °C
- Boiling point
- 146.3 °C · 146.3 °C
- Density
- 1.0886 g/cm3 · 1.0886 g/cm3
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 (88.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (88.7%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…