Basic information
- CAS
55320-58-6- Standard SMILES
CC(C)(C)CCCC=O- InChIKey
XVXGREGYPLBBOW-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 5,5-Dimethylhexanal
- IUPAC
- 5,5-dimethylhexanal
- English name
- 5,5-Dimethylhexanal
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
5,5-DIMETHYLHEXANAL55320-58-6DTXSID50203887RefChem:527788DTXCID80126378896-489-0Hexanal, 5,5-dimethyl-trimethylpentanal5,5-Dimethylhexanal #SCHEMBL991404SCHEMBL1784079SCHEMBL28205263
Show more names
SCHEMBL29217708AKOS011895681DB-306307EN300-1847262
Database identifiers
- CAS
55320-58-6- PubChem CID
- 41406
- DTXSID
DTXSID50203887- EC Number
- 896-489-0
- Nikkaji
- J108.745B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 79.1
Physicochemical properties
- Boiling point
- 160.5 · 160.5±9.0 °C(Predicted)
- Density
- 0.811 · 0.811±0.06 g/cm3(Predicted)
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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