1-Methoxy-4-methylpentan-3-one
Basic information
- CAS
1250407-40-9- Standard SMILES
COCCC(=O)C(C)C- InChIKey
VUEKVRBSKXKONO-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 1-Methoxy-4-methylpentan-3-one
- IUPAC
- 1-methoxy-4-methylpentan-3-one
- English name
- 1-methoxy-4-methylpentan-3-one
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
1-methoxy-4-methylpentan-3-one1250407-40-9RefChem:433549971-863-7SCHEMBL1911564SCHEMBL83944221-Methoxy-4-methyl-3-pentanoneAAC40740AKOS010673266CS-0261562EN300-79044G44134
Show more names
3-Pentanone, 1-methoxy-4-methyl-
Z818737942
Database identifiers
- CAS
1250407-40-9- PubChem CID
- 54593809
- EC Number
- 971-863-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 86.9
Physicochemical properties
- Boiling point
- 167.3 · 167.3±13.0 °C(Predicted)
- Density
- 0.879 · 0.879±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…