Basic information
- CAS
495-45-4- Standard SMILES
CC(=CC(=O)c1ccccc1)c1ccccc1- InChIKey
PLELHVCQAULGBH-UHFFFAOYSA-N- Molecular formula
- C16H14O
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.10446507
Overview
dypnone has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- Dypnone
- IUPAC
- 1,3-diphenylbut-2-en-1-one
- English name
- 1,3-Diphenyl-2-buten-1-one
- Molecular formula
- C16H14O
- Molecular weight
- 222.28
Names & synonyms
Dypnone1,3-Diphenyl-2-buten-1-one1,3-diphenylbut-2-en-1-onebeta-MethylchalconeDypenoneUNII-2X1835LFAQbeta-Methylstyryl phenyl ketone2X1835LFAQChalcone, beta-methyl-NSC 2063DYPNONE [MI]EINECS 207-801-6
Show more names
1，3-diphenylbut-2-en-1-oneβ-Methylchalconebeta-methyl-chalconTIMTEC-BB SBB007880ar-Styrylacetophenone
DYPNONE [WHO-DD]AI3-11507NSC-2063.beta.-Methylchalcone2-Buten-1-one, 1,3-diphenyl-Dypenone (6CI)RefChem:136053Chalcone, beta-methyl-(7CI,8CI)
Database identifiers
- CAS
495-45-4- PubChem CID
- 95329
- DTXSID
DTXSID20870560- ChEMBL
CHEMBL1701508- UNII
- 2X1835LFAQ
- EC Number
- 207-801-6
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Melting point
- 68 · 68-69 °C(Solv: ethanol (64-17-5); ligroine (8032-32-4))
- Boiling point
- 760 · bp760 340-345° (partial decompn); bp22 225°; bp1.0 150-155°
- Density
- 415 · d415 1.1080
- refractive index
- 20 · nD20 1.6343
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 X1835LFAQ · 2X1835LFAQ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 orally · LD50 orally in rats: 3.6 g/kg (Smyth)
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
- Toxicity
- LD50 orally in rats: 3.6 g/kg (Smyth)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesSunscreen.
Upstream & downstream products
Downstream products
Suppliers7 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海博熠生物医药科技有限公司021-021-54331997 18321536537 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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