Basic information
- CAS
153390-68-2- Standard SMILES
COc1cccc(C(C)(C)O)c1OC- InChIKey
QBHYYRNYYWZERD-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 2-(2,3-Dimethoxyphenyl)propan-2-ol
- IUPAC
- 2-(2,3-dimethoxyphenyl)propan-2-ol
- English name
- 2-(2,3-diMethoxyphenyl)propan-2-ol
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24
Names & synonyms
2-(2,3-dimethoxyphenyl)propan-2-ol153390-68-2MFCD18207067NSC159481SCHEMBL1884282DTXSID30303637CS-M02792-(2,3-Dimethoxyphenyl)-2-propanolAKOS016007251NSC-159481CS-14237SY407648
Show more names
Benzenemethanol, 2,3-dimethoxy-α,α-dimethyl-
DB-329103EN300-1841997F788576Benzenemethanol, 2,3-dimethoxy-alpha,alpha-dimethyl-
Database identifiers
- CAS
153390-68-2- PubChem CID
- 293158
- DTXSID
DTXSID30303637
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 97 °C · 97 °C(Press: 0.5 Torr)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Dichloromethane, Ethyl acetate, Methanol
- form
- Pale yellow liquid
- pka
- 14.3 · 14.30±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-(2,3-Dimethoxyphenyl)propan-2-ol is an intermediate of Miltirone (M344500), an active component in Salvia miltiorrhiza that has been shown to inhibit the increase in the abundance of the mRNA for the α4 subunit of the GABAA receptor induced by ethanol withdrawal in cultured hippocampal neurons. A potential phytotherapeutic agent in the treatment of alcohol dependence.
Upstream & downstream products
Downstream products
Suppliers12 total
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
上海遐瑞医药科技有限公司+86 21 61551611
凯试（上海）科技有限公司021-50135380 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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