1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one
Basic information
- CAS
2051-07-2- Standard SMILES
COc1ccc(C=CC(=O)C=Cc2ccc(OC)cc2)cc1- InChIKey
IOZVKDXPBWBUKY-UHFFFAOYSA-N- Molecular formula
- C19H18O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12559444
Names & identifiers
- Preferred name
- 1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one
- IUPAC
- 1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
- English name
- Bis(4-methoxybenzylidene)acetone
- Molecular formula
- C19H18O3
- Molecular weight
- 294.34
Names & synonyms
1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-oneRefChem:10534192051-07-21,4-Pentadien-3-one, 1,5-bis(4-methoxyphenyl)-Dianisalaceton1,5-Bis(p-methoxyphenyl)-3-pentadienoneTimTec1_006393SCHEMBL2744101di(4-methoxybenzylidene) acetoneDTXSID00964991AKOS033868667NCI60_027559
Show more names
1,5-Bis(4-methoxyphenyl)penta-1,4-dien-3-oneNSC 401196NSC 677239DIANISYLIDENE ACETONEbis(p-anisylidene)acetoneDi(4-methoxystyryl) ketonep,p'-Dimethoxydibenzalacetoneα,α'-Di(p-anisylidene)acetonebis(p-methoxybenzylidene)acetoneBis(4-methoxybenzylidene)acetone
DB-291120NS000157441,5-bis(4-methoxyphenyl)penta-1,4-diene-3-oneF980141
Database identifiers
- CAS
2051-07-2- PubChem CID
- 101220
- DTXSID
DTXSID00964991- EC Number
- 606-570-2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 128 · 128-129 °C
- Boiling point
- 492 ℃ · 492℃
- Density
- 1.128 · 1.128
- refractive index
- 1.549 · 1.5490 (estimate)
- Flash point
- 244 ℃ · 244℃
- BRN
- 1885379 · 1885379
- FDA UNII
- 1 T5NW58W3 · C1T5NW58W3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- RTECS
- 2476500 · RZ2476500
- HS Code
- 2914790090 · 2914790090
- Toxicity
- 50 · mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02797,
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
- rtecs
- RZ2476500
- hs_code
- 2914790090
- Toxicity
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02797,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Additional notes
DefinitionChEBI: (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one is a member of methoxybenzenes.
Related reactions
6 records
Compound notes
Loading…