Completing data — refresh the page later to see the latest
Basic information
- CAS
39151-19-4- Standard SMILES
COc1cc(OC)cc(C(C)=O)c1- InChIKey
YJKHOUIVWKQRSL-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 1-(3,5-Dimethoxyphenyl)ethan-1-one
- IUPAC
- 1-(3,5-dimethoxyphenyl)ethanone
- English name
- 3',5'-Dimethoxyacetophenone
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
1-(3,5-Dimethoxyphenyl)ethan-1-oneDTXSID30959951RefChem:422944DTXCID501387822254-322-339151-19-43',5'-Dimethoxyacetophenone1-(3,5-Dimethoxyphenyl)ethanone3,5-DimethoxyacetophenoneEthanone, 1-(3,5-dimethoxyphenyl)-MFCD000087391-(3,5-Dimethoxyphenyl);ethanone
Show more names
AcetosyringeninLABOTEST-BB LT00233121-Dimethoxyacetophenone1-(3,5-Dimethoxyphenyl)3’,5’-dimethoxy-acetophenon3',5'-Dimethoxyacetophenone,97%
SMR0000191843 inverted exclamation marka,5 inverted exclamation marka-DimethoxyacetophenoneMLS0000848381-acetyl-3,5-dimethoxybenzene1-(35-Dimethoxyphenyl)ethanoneNSC-46884AB00953PD197103
Database identifiers
- CAS
39151-19-4- PubChem CID
- 95997
- DTXSID
DTXSID30959951- ChEMBL
CHEMBL1549987- UNII
- UB92MR8J9T
- EC Number
- 254-322-3
- Nikkaji
- J89.272F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 33 · 33-34 °C(lit.)
- Boiling point
- 290 · 290-291 °C(lit.)
- Density
- 1.1272 · 1.1272 (rough estimate)
- refractive index
- 20 · n20/D 1.543(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- crystalline powder
- color
- White
- Water Solubility
- Insoluble in water.
- BRN
- 2045586 · 2045586
- InChI
- 1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3
- InChIKey
- YJKHOUIVWKQRSL-UHFFFAOYSA-N
- SMILES
- COc1cc(OC)cc(c1)C(C)=O
- CAS DataBase Reference
- 39151 · 39151-19-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
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
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- KM5775717
- hs_code
- 29145090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3',5'-Dimethoxyacetophenone is used as starting reagent in the synthesis of 5,7-dimethoxy-3-methylindazole1. It was used in the synthesis of (R)-(+)-1-(3,5-dimethoxyphenyl)ethyl acetate-ether-180.
Preparation methods
PreparationObtained by reaction of acetyl chloride with 3,5-dimethoxybenzene.
Upstream & downstream products
Downstream products
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
河北贞田食品添加剂有限公司0319-5925599 13373390591
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
14 records
Compound notes
Loading…