Basic information
- CAS
37951-12-5- Standard SMILES
COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)cc2)cc1- InChIKey
IOZVKDXPBWBUKY-LQIBPGRFSA-N- Molecular formula
- C19H18O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12559443
Overview
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- Bis(4-methoxybenzylidene)acetone
- IUPAC
- (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
- English name
- (1E,4E)-1,5-Bis(4-methoxyphenyl)penta-1,4-dien-3-one
- Molecular formula
- C19H18O3
- Molecular weight
- 294.34
Names & synonyms
37951-12-5Bis(4-Methoxybenzylidene)AcetoneC1T5NW58W3NSC-677239GO-Y-013NSC-401196RefChem:1079952(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-onedi-p-Anisylideneacetone50764-85-7DIANISYLIDENE ACETONE
Show more names
(1E,4E)-1,5-Bis(4-methoxyphenyl)trans,trans-Bis(4-methoxybenzal)acetonetrans,trans-Bis(4-methoxystyryl) Ketonetrans,trans-Bis(4-methoxybenzylidene)acetonetrans,trans-1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one1,4-Pentadien-3-one, 1,5-bis(4-Methoxyphenyl)-, (1E,4E)-trans,trans-1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one >
1,5-Bis-(4-methoxyphenyl)-3-pentadienoneNSC677239CHEMBL584437MFCD00014901Go-Y0131,5-Bis(p-methoxyphenyl)-1,4-pentadien-3-oneDTXSID401347720(E,E)-1,5-Bis(p-methoxyphenyl)penta-1,4-dien-3-one
Database identifiers
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
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 127 to · 127.0 to 131.0 °C
- Boiling point
- 492.1 · 492.1±40.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- Light orange to Yellow to Green
- λmax
- 357 nm · 357nm(THF)(lit.)
- FDA UNII
- 1 T5NW58W3 · C1T5NW58W3
- Hazard Codes
- Xi
- HS Code
- 2914790090 · 2914790090
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
- hs_code
- 2914790090
- hazard_code
- Xi
Chemistry & industry
Suppliers36 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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