Basic information
- CAS
1113-74-2- Standard SMILES
CC(C)C(=NO)C(C)C- InChIKey
PULCKIYKBGOTTG-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- 2,4-Dimethylpentan-3-one oxime
- IUPAC
- N-(2,4-dimethylpentan-3-ylidene)hydroxylamine
- English name
- 2,4-dimethylpentan-3-one oxime
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
2,4-Dimethylpentan-3-one oxime1113-74-22,4-Dimethyl-3-pentanone oxime3-Pentanone, 2,4-dimethyl-, oximeEINECS 214-208-6DTXSID00149589NSC 32350RefChem:443794DTXCID3072080214-208-6InChI=1/C7H15NO/c1-5(2)7(8-9)6(3)4/h5-6,9H,1-4HN-(2,4-dimethylpentan-3-ylidene)hydroxylamine
Show more names
Diisopropyl ketoneoxime2,4-Dimethylpentane-3-one oxime
MFCD001825862,4-DIMETHYL-PENTAN-3-ONE OXIMEmethylethylketoximdiisopropyl ketoximeNSC32350Diisopropyl ketone oximeSCHEMBL1857192,4-Dimethylpentan-3-oneoxime
Database identifiers
- CAS
1113-74-2- PubChem CID
- 70685
- DTXSID
DTXSID00149589- EC Number
- 214-208-6
- Nikkaji
- J217.236D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.5
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 34 °C · 34°C
- Boiling point
- 239.29 °C · 239.29°C (rough estimate)
- Density
- 0.9022 · 0.9022
- refractive index
- 1.4419 · 1.4419 (estimate)
- pka
- 12.46 · 12.46±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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