Basic information
- CAS
938-16-9- Standard SMILES
CC(C)(C)C(=O)c1ccccc1- InChIKey
OECPUBRNDKXFDX-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- Pivalophenone
- IUPAC
- 2,2-dimethyl-1-phenylpropan-1-one
- English name
- 2,2-Dimethylpropiophenone
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
2,2-Dimethylpropiophenone938-16-9Pivalophenone1-Propanone, 2,2-dimethyl-1-phenyl-Phenyl tert-butyl ketonetert-Butyl Phenyl ketone96BA178UNXDTXSID10482092,2-Dimethyl-1-phenyl-1-propanone.alpha.,.alpha.-DimethylpropiophenoneEINECS 213-338-0AI3-11505
Show more names
AI311505AI3 11505Pivaloylbenzenetert-Butylphenylketone
DTXCID3028184alpha,alpha-DimethylpropiophenoneRefChem:863681213-338-02,2-dimethyl-1-phenylpropan-1-one2,2,2-Trimethylacetophenonet-BuBzMFCD00008844
Database identifiers
- CAS
938-16-9- PubChem CID
- 70308
- DTXSID
DTXSID1048209- ChEMBL
CHEMBL479495- UNII
- 96BA178UNX
- EC Number
- 213-338-0
- Nikkaji
- J121.149H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP3.0
Physicochemical properties
- Boiling point
- 219 · 219-222 °C(lit.)
- Density
- 0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.508(lit.)
- Flash point
- 189 °F · 189 °F
- storage temp.
- Store at room temperature
- form
- liquid
- color
- Clear colourless
- Water Solubility
- Not miscible with water.
- BRN
- 1906460 · 1906460
- InChI
- 1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
- InChIKey
- OECPUBRNDKXFDX-UHFFFAOYSA-N
- SMILES
- CC(C)(C)C(=O)c1ccccc1
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 48.1% (38 of 79) of reports.
Warning
H315 (51.9%): 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)
Aggregated GHS information provided per 79 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (51.9%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2914409000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
UsesThe electrocarboxylation of 2,2-dimethylpropiophenone has been carried out in N-methyl-2-pyrrolidone in a diaphragmless cell equipped with a carbon cathode and an aluminium sacrificial anode.
General DescriptionThe electrocarboxylation of 2,2-dimethylpropiophenone has been carried out in N-methyl-2-pyrrolidone in a diaphragmless cell equipped with a carbon cathode and an aluminium sacrificial anode.
Upstream & downstream products
Downstream products
Suppliers60 total
山东玖玥生物科技有限公司15553333686 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[email protected]
Related reactions
5 records
Compound notes
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