Basic information
- CAS
5407-98-7- Standard SMILES
O=C(c1ccccc1)C1CCC1- InChIKey
MVEBDOSCXOQNAR-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- Cyclobutyl phenyl ketone
- IUPAC
- cyclobutyl(phenyl)methanone
- English name
- Cyclobutyl phenyl ketone
- Molecular formula
- C11H12O
- Molecular weight
- 160.21
Names & synonyms
Cyclobutyl phenyl ketone5407-98-7BenzoylcyclobutaneDTXSID1048201EINECS 226-473-5DTXCID9028176Methanone, (cyclobutyl)(phenyl)-NSC 10744RefChem:129406226-473-5MVEBDOSCXOQNAR-UHFFFAOYSA-NCyclobutyl(phenyl)methanone
Show more names
Cyclobutylphenylketone,97%Cyclobutyl Phenyl Ketone >Methanone, cyclobutylphenyl-
Methanone, cyclobutylphenyl-MFCD00001326phenyl cyclobutyl ketoneCyclobutyl phenyl ketone, 98%AKOS009156391NCGC00257510-01CAS-5407-98-7EN300-82990
Database identifiers
- CAS
5407-98-7- PubChem CID
- 79414
- DTXSID
DTXSID1048201- ChEMBL
CHEMBL3187192- EC Number
- 226-473-5
- Nikkaji
- J81.023A
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 164
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 114 · 114-118 °C7 mm Hg(lit.)
- Density
- 1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.547(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- clear liquid
- color
- Colorless to Yellow to Green
- Specific Gravity
- 1.05 · 1.050
- BRN
- 2044307 · 2044307
- InChI
- 1S/C11H12O/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
- InChIKey
- MVEBDOSCXOQNAR-UHFFFAOYSA-N
- SMILES
- O=C(C1CCC1)c2ccccc2
- CAS DataBase Reference
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
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2914.39.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P233-P261-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P309+P311
Chemistry & industry
Applications
UsesCyclobutyl phenyl ketone was used to study thermal reactions of parent and phenyl substituted N-acyl cyclobutylimines.
General DescriptionCyclobutyl phenyl ketone reacts with 2-butanol and di-t-butyl peroxide to yield valerophenone.
Suppliers63 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
南通萧畅医药贸易有限公司0513-82104991 15716298942 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司
Related reactions
4 records
Compound notes
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