p-Anisoylcyclopropane
Basic information
- CAS
7152-03-6- Standard SMILES
COc1ccc(C(=O)C2CC2)cc1- InChIKey
YKZSVEVTRUSPOQ-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- p-Anisoylcyclopropane
- IUPAC
- cyclopropyl-(4-methoxyphenyl)methanone
- English name
- Cyclopropyl 4-methoxyphenyl ketone
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
Cyclopropyl(4-methoxyphenyl)methanoneCyclopropyl 4-methoxyphenyl ketone7152-03-6Methanone, cyclopropyl(4-methoxyphenyl)-p-AnisoylcyclopropaneB2980CXL3REINECS 230-487-7NSC 71980NSC-71980p-anisyl cyclopropyl ketoneDTXSID70645764-METHOXYPHENYL CYCLOPROPYL KETONE
Show more names
Cyclopropyl 4-methoxCyclopropyl p-anisyl ketone(4-Methoxybenzoyl)cyclopropane4-(Cyclopropylcarbonyl)anisole4-methoxyphenylcyclopropylketonecyclopropylp-methoxyphenylketoneketone,cyclopropylp-methoxyphenyl
CYCLOPROPYL P-METHOXYPHENYL KETONEKETONE, CYCLOPROPYL P-METHOXYPHENYLRefChem:857987DTXCID9047045230-487-7MFCD00001296cyclopropyl-(4-methoxyphenyl)methanoneCHEMBL82673
Database identifiers
- CAS
7152-03-6- PubChem CID
- 81580
- DTXSID
DTXSID7064576- ChEMBL
CHEMBL82673- UNII
- B2980CXL3R
- EC Number
- 230-487-7
- Nikkaji
- J227.412D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 40 · 40-42 °C(lit.)
- Boiling point
- 94 · 94-97 °C0.1 mm Hg(lit.)
- Density
- 1.0558 · 1.0558 (rough estimate)
- refractive index
- 1.512 · 1.5120 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- solid
- Appearance
- White to light yellow Solid
- BRN
- 2046539 · 2046539
- InChI
- 1S/C11H12O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8H,2-3H2,1H3
- InChIKey
- YKZSVEVTRUSPOQ-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1)C(=O)C2CC2
- 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, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PC4946500
- hs_code
- 2914509090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312a-P330-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, cyclopropyl(4-methoxyphenyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
4 records
Compound notes
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