Basic information
- CAS
105-44-2- Standard SMILES
CC(CC(C)C)=NO- InChIKey
ZKALVNREMFLWAN-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- 4-Methyl-2-pentanone oxime
- IUPAC
- N-(4-methylpentan-2-ylidene)hydroxylamine
- English name
- 4-Methyl-2-pentanone oxime
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
Methyl isobutyl ketoxime4-Methyl-2-pentanone oxime105-44-22-PENTANONE, 4-METHYL-, OXIME4-Methylpentan-2-one oxime2-Methyl-4-pentanone oximeMethyl isobutyl oximeMR4PJ3DGG1NSC-562NSC-1070NSC-31611RefChem:1071094
Show more names
MIBKOusafam-4methylisobutyloximeISOBUTYL METHYL KETOXIME4-methyl-2-pentanonoxime
203-298-2N-(4-methylpentan-2-ylidene)hydroxylamineDTXSID6044771N-(4-Methyl-2-pentanylidene)hydroxylamineUSAF AM-4(2E)-4-Methyl-2-pentanone oxime #Isopropylacetone Oxime(E)-N-(4-methylpentan-2-ylidene)hydroxylamine
Database identifiers
- CAS
105-44-2- PubChem CID
- 7756
- DTXSID
DTXSID6044771- ChEMBL
CHEMBL3185255- EC Number
- 203-298-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.5
Physicochemical properties
- Melting point
- 63 °C · 63 °C
- Boiling point
- 70 °C/8 · 70 °C/8 mmHg
- Density
- 0.89 · 0.89
- vapor pressure
- 80 · 80-113Pa at 20-25℃
- refractive index
- 1.45 · 1.45
- Flash point
- 78 °C · 78 °C
- form
- clear liquid
- pka
- 12.36 · 12.36±0.10(Predicted)
- color
- Colorless to Light yellow
- LogP
- 1.54 at · 1.54 at 20℃ and pH7.62-8.43
- Surface tension
- 57.4 mN/m · 57.4mN/m at 1g/L and 20℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 PJ3DGG1 · MR4PJ3DGG1
- NIST Chemistry Reference
- 2 · 2-Pentanone, 4-methyl-, oxime(105-44-2)
- EPA Substance Registry System
- 2 · 2-Pentanone, 4-methyl-, oxime (105-44-2)
- Symbol(GHS)
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
This chemical does not meet GHS hazard criteria for 6.7% (6 of 89) of reports.
Warning
H302 (92.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Pentanone, 4-methyl-, oxime
REACH registered substance: 4-methylpentan-2-one oxime (EC: 203-298-2)
2-Pentanone, 4-methyl-, oxime: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (92.1%)
Safety data
- tsca
- TSCA listed
- rtecs
- SA9450000
- hs_code
- 2928.00.5000
- risk_code
- 20/21/22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H227-H315-H319
- REACH Registrations
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pentanone, 4-methyl-, oxime: ACTIVE
Applications
Uses4-METHYL-2-PENTANONE OXIME is used to prevent surface skinning in oil-based paints, alkyd paints, epoxy ester paints, etc., during use and storage; also a major raw material for the production of silicone crosslinking agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers85 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
2 records
Compound notes
Loading…