2,6-Dimethyl-3-heptanone
Basic information
- CAS
19549-83-8- Standard SMILES
CC(C)CCC(=O)C(C)C- InChIKey
HFNWDYQEGABWQS-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-heptanone
- IUPAC
- 2,6-dimethylheptan-3-one
- English name
- 2,6-Dimethyl-3-heptanone
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
2,6-Dimethylheptan-3-one2,6-Dimethyl-3-heptanoneUNII-56924GH37XEINECS 243-149-956924GH37XNSC-155180DTXSID20173220NSC 155180RefChem:83286DTXCID9095711243-149-9HFNWDYQEGABWQS-UHFFFAOYSA-N
Show more names
Isoamyl isopropyl ketone 99%2 6-DIMETHYL-3-HEPTANONE 99%
19549-83-83-Heptanone, 2,6-dimethyl-2,6-dimethyl-heptan-3-oneNSC1551803-Heptanone,6-dimethyl-2,6-dimethyl-3 -heptanoneSCHEMBL800723SCHEMBL28831888
Database identifiers
- CAS
19549-83-8- PubChem CID
- 88149
- DTXSID
DTXSID20173220- UNII
- 56924GH37X
- EC Number
- 243-149-9
- Nikkaji
- J110.596E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -18.52 °C · -18.52°C (estimate)
- Boiling point
- 171.85 °C · 171.85°C
- Density
- 0.8258 · 0.8258 (estimate)
- refractive index
- 1.4181 · 1.4181 (estimate)
- LogP
- 2.704 · 2.704 (est)
- FDA UNII
- 56924 GH37X · 56924GH37X
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 335 · H335-H226
- RIDADR
- 1224 · 1224
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
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, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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%)
Safety data
- ridadr
- 1224
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H335-H226
Suppliers
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Related reactions
3 records
Compound notes
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