Basic information
- CAS
17408-48-9- Standard SMILES
CC(C=O)C(C)(C)C- InChIKey
IHZLWFWSVIGUST-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 2,3,3-Trimethylbutanal
- IUPAC
- 2,3,3-trimethylbutanal
Names & synonyms
2,3,3-trimethylbutanal17408-48-9DTXSID80396918RefChem:243752DTXCID70347777818-552-3Butanal, 2,3,3-trimethyl-SCHEMBL270022SCHEMBL270023IHZLWFWSVIGUST-UHFFFAOYSA-NAKOS015258397EN300-203703
Database identifiers
- CAS
17408-48-9- PubChem CID
- 3824520
- DTXSID
DTXSID80396918- EC Number
- 818-552-3
- Nikkaji
- J402.991G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.9
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)
Aggregated GHS information provided per 2 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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