Basic information
- CAS
29903-09-1- Standard SMILES
COc1ccc(CC(=O)Cc2ccc(OC)cc2)cc1- InChIKey
CDAXBXJOPWBMAB-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559444
Names & identifiers
- Preferred name
- 1,3-Bis(4-methoxyphenyl)propan-2-one
- IUPAC
- 1,3-bis(4-methoxyphenyl)propan-2-one
- English name
- 2-Propanone, 1,3-bis(4-methoxyphenyl)-
- Molecular formula
- C17H18O3
- Molecular weight
- 270.32
Names & synonyms
1,3-bis(4-methoxyphenyl)propan-2-one29903-09-1DTXSID80396453RefChem:218062DTXCID10347312Bis(4-methoxybenzyl) ketone1,3-bis(4-methoxyphenyl)acetoneVenlafaxine Impurity 4SCHEMBL3628705CDAXBXJOPWBMAB-UHFFFAOYSA-N1,3-bis(4-methoxyphenyl)propanoneEBA90309
Show more names
Effexor Impurity 35Venlafaxine Impurity 351,3-Bis(4-methoxyphenyl)-2-propanoneVenlafaxine impurity 11/Bis(4-methoxybenzyl)Ketone
Database identifiers
- CAS
29903-09-1- PubChem CID
- 3790928
- DTXSID
DTXSID80396453- EC Number
- 976-801-2
- Nikkaji
- J573.516E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 259
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Chemistry & industry
Applications
UsesBis(4-methoxybenzyl) Ketone can be used as reactant/reagent in synthesis of crystal structure and application of an acenaphtho[1,2-k]fluoranthene diimide.
Suppliers10 total
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
合肥孚亚生物技术有限公司+86-13564847951 +86-18019592524 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
1 records
Compound notes
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