4'-Methoxybutyrophenone
Basic information
- CAS
4160-51-4- Standard SMILES
CCCC(=O)c1ccc(OC)cc1- InChIKey
JLCDSZXBELPBRD-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 4'-Methoxybutyrophenone
- IUPAC
- 1-(4-methoxyphenyl)butan-1-one
- English name
- 4'-Methoxybutyrophenone
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
4160-51-44'-Methoxybutyrophenone1-Butanone, 1-(4-methoxyphenyl)-4-MethoxybutyrophenoneButyrophenone, 4'-methoxy-1-(4-Methoxyphenyl)-1-butanoneNSC 5615AI3-23190EINECS 223-995-5DTXSID50194423RefChem:506178DTXCID60116914
Show more names
P-BUTYRYLANISOLE4-butyrylanisole4-Methoxybutyrophenone,99%4'-Methoxybutyrophenone>4-Methoxyphenylpropyl ketone
Butyrophenone, 4'-methoxy-(8CI)223-995-51-(4-methoxyphenyl)butan-1-onep-MethoxybutyrophenoneMFCD00027138Z9TA5W7AWPNSC-5615AS-60212
Database identifiers
- CAS
4160-51-4- PubChem CID
- 77810
- DTXSID
DTXSID50194423- UNII
- Z9TA5W7AWP
- EC Number
- 223-995-5
- Nikkaji
- J224.958H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 22 °C · 22 °C
- Boiling point
- 124 · 124-128 °C (4 mmHg)
- Density
- 1.0292 · 1.0292 (rough estimate)
- refractive index
- 1.5378 · 1.5378-1.5398
- Flash point
- 124 · 124-128°C/4mm
- storage temp.
- Store at room temperature
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- BRN
- 908286 · 908286
- InChI
- InChI=1S/C11H14O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h5-8H,3-4H2,1-2H3
- InChIKey
- JLCDSZXBELPBRD-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(OC)C=C1)(=O)CCC
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
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- hs_code
- 2914409000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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