Basic information
- CAS
5650-43-1- Standard SMILES
CCC(=O)c1cc(OC)c(O)c(OC)c1- InChIKey
CXCPJZXJNRBTGF-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-
- IUPAC
- 1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
- English name
- 1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
Propiosyringone5650-43-11-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-1-(3,5-Dimethoxy-4-hydroxyphenyl)-1-propanonePropiophenone, 4'-hydroxy-3',5'-dimethoxy-DTXSID10884176RefChem:77160DTXCID9010236361-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanoneorb1296879
Show more names
4-PropionylsyringolPropiosyringone, 10 mM in DMSO4'-Hydroxy-3',5'-dimethoxypropiophenone3',5'-Dimethoxy-4'-hydroxypropiophenone
SCHEMBL9702085FAA65043TN70863,5-Dimethoxy-4-hydroxypropiophenoneAKOS023704194TS-10204NS00120875EN300-261322
Database identifiers
- CAS
5650-43-1- PubChem CID
- 79735
- DTXSID
DTXSID10884176- EC Number
- 864-611-1
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- 113 · 113–115°C
- Boiling point
- 347.1 · 347.1±37.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- FLAVIS Number
- 7.154 · 07.154 | 1-(3,5-Dimethoxy-4-hydroxyphenyl)propan-1-one
- pka
- 8.94 · 8.94±0.36(Predicted)
- Henry's Law Constant
- 3.8 · 3.8×105 mol/(m3Pa) at 25℃, McFall et al. (2020)
- LogP
- 2.208 · 2.208 (est)
- EPA Substance Registry System
- 1 · 1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)- (5650-43-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
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
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-: INACTIVE
Applications
UsesPropiosyringone is derived from the breakdown of Eucalyptus globulus wood by wood-decaying fungi.
Preparation methods
PreparationPreparation by oxidation of (3,5-dimethoxy- 4-hydroxy-phenyl)ethylcarbinol also named 1-(4-hydroxy-3,5-di-methoxyphenyl)-1-propanol, with DDQ in dioxane at r.t. for 16 h (70%) ; using silver oxide in sodium hydroxide.
Suppliers25 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
Hubei Danding Pharmaceutical Technology Co., Ltd+86-18917019315 +86-13173601896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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