Basic information
- CAS
565-78-6- Standard SMILES
CC(=O)C(C)C(C)C- InChIKey
QXHRQZNDMYRDPA-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 3,4-Dimethyl-2-pentanone
- IUPAC
- 3,4-dimethylpentan-2-one
Names & synonyms
3,4-Dimethyl-2-pentanone565-78-6DTXSID90337014RefChem:91201DTXCID80288102QXHRQZNDMYRDPA-UHFFFAOYSA-N3,4-dimethylpentan-2-one3,4-dimethyl-pentan-2-oneSCHEMBL270417SCHEMBL11306591AKOS012211624EN300-1241214
Database identifiers
- CAS
565-78-6- PubChem CID
- 537877
- DTXSID
DTXSID90337014- EC Number
- 867-272-8
- Nikkaji
- J517.060E
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 84.4
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, 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. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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