Basic information
- CAS
19549-84-9- Standard SMILES
CCC(C)C(=O)C(C)CC- InChIKey
VZXXYILNWWRSGE-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-heptanone
- IUPAC
- 3,5-dimethylheptan-4-one
- English name
- 3,5-Dimethyl-4-heptanone
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
3,5-Dimethylheptan-4-one19549-84-93,5-Dimethyl-4-heptanoneDTXSID00871297RefChem:1065931DTXCID80818968243-150-44-Heptanone, 3,5-dimethyl-EINECS 243-150-4SCHEMBL270073AKOS016009812DB-044911
Show more names
Di-sec-butylketone4-Heptanone,3,5-dimethyl-3,5-Dimethyl-4-heptanone,97%3,5-DIMETHYL-4-HEPTANONE 97%
NS00047497F240656
Database identifiers
- CAS
19549-84-9- PubChem CID
- 89181
- DTXSID
DTXSID00871297- EC Number
- 243-150-4
- Nikkaji
- J242.852K
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 95.3
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -18.52 °C · -18.52°C (estimate)
- Boiling point
- 162 °C · 162 °C
- Density
- 0.826 · 0.826
- refractive index
- 1.4154 · 1.4154-1.4174
- Flash point
- 46 °C · 46 °C
- storage temp.
- Flammables area
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1224 · 1224
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 1224
- hs_code
- 29141990
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 16
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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