Basic information
- CAS
25155-26-4- Standard SMILES
COc1cccc(O)c1OC- InChIKey
QSZCGGBDNYTQHH-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Overview
2,3-dimethoxyphenol is a member of phenols and a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 2,3-Dimethoxyphenol
- IUPAC
- 2,3-dimethoxyphenol
- English name
- 2,3-Dimethoxyphenol
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
2,3-Dimethoxyphenol5150-42-5Phenol, 2,3-dimethoxy-1-Hydroxy-2,3-dimethoxybenzenedimethoxy-phenolOW147I6C84NSC 80659NSC-80659EINECS 225-922-2RefChem:442450Phenol, 2,3-dimethoxy-(8CI)Phenol, 2,3-dimethoxy-(8CI)(9CI)
Show more names
2,3-Dimethoxyphenol96%2,3-Dimethoxyphenol,99%2,3-Dimethoxyphenol 96%2,3-Dimethoxyphenol, 98%,2,3-DiMethoxyphenol, 99% 5GRPYROGALLOL-1,2-DIMETHYL ETHER2,3-Dimethoxyphenol, typically 98%
225-922-22,3-dimethoxy-phenolMFCD00008366UNII-OW147I6C842.3-Dimethoxyphenol25155-26-42,3-dim ethoxyphenol2,3-dimethoxy phenol
Database identifiers
- CAS
25155-26-4、5150-42-5- PubChem CID
- 78828
- DTXSID
DTXSID001364326- ChEBI
CHEBI:193967- UNII
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 233 · 233-234 °C (lit.)
- Density
- 1.182 g/mL · 1.182 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.539(lit.)
- Flash point
- 228 °F · 228 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in Chloroform.
- form
- Liquid
- pka
- 9.59 · 9.59±0.10(Predicted)
- color
- Clear orange to brown
- BRN
- 1910045 · 1910045
- InChI
- 1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3
- InChIKey
- QSZCGGBDNYTQHH-UHFFFAOYSA-N
- SMILES
- COc1cccc(O)c1OC
Safety & regulation
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)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29095000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39-37
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,3-Dimethoxyphenol is used to study the nitrosative deamination of DNA bases induced by reactive nitrogen species (RNS) while studying the cause of mutagenesis.
Uses2,3-Dimethoxyphenol has been used to study the nitrosative deamination of DNA bases induced by reactive nitrogen species (RNS) while studying the cause of mutagenesis.
General Description2,3-Dimethoxyphenol is a plant-derived phenylpropanoid compound that is glycosidated to form glycoside compound.
Upstream & downstream products
Downstream products
Suppliers85 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Related reactions
71 records
Compound notes
Loading…