Basic information
- CAS
824-46-4- Standard SMILES
COc1cc(O)ccc1O- InChIKey
LAQYHRQFABOIFD-UHFFFAOYSA-N- Molecular formula
- C7H8O3
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.04734412
Overview
2-methoxyhydroquinone is a member of phenols.
Names & identifiers
- Preferred name
- 2-Methoxybenzene-1,4-diol
- IUPAC
- 2-methoxybenzene-1,4-diol
- English name
- 2-Methoxyhydroquinone
- Molecular formula
- C7H8O3
- Molecular weight
- 140.14
Names & synonyms
2-methoxybenzene-1,4-diolRefChem:8118122-Methoxyhydroquinone824-46-4Methoxyhydroquinoneo-Methoxyhydroquinone1,4-Dihydroxy-2-methoxybenzene1,4-Benzenediol, 2-methoxy-MFCD00013971UNII-2HI6HNR5U12-MOHYDROPEINECS 212-530-1
Show more names
2,5-DIHYDROXYANISOLEMBQH22-Methoxy-1,4-benzohydroquinone2-methoxyquinol2,5-DIHYDROXYANISOL4-methyldioxyphenol2-METHOXYHYDROQUIONE
2HI6HNR5U1SCHEMBL62784METHOXYHYDROQUINONE, O-CHEMBL551075CHEBI:176649DTXSID00231716BDBM50297425M0539
Database identifiers
- CAS
824-46-4- PubChem CID
- 69988
- DTXSID
DTXSID00231716- ChEMBL
CHEMBL551075- ChEBI
CHEBI:176649- UNII
- 2HI6HNR5U1
- EC Number
- 212-530-1
- Nikkaji
- J133.732G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
LogP0.47
Physicochemical properties
- Melting point
- 88 · 88-91 °C(lit.)
- Boiling point
- 180 °C · 180 °C / 24mmHg
- Density
- 1.1624 · 1.1624 (rough estimate)
- refractive index
- 1.485 · 1.4850 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 2 mg/ml,DMSO: · DMF: 2 mg/ml,DMSO: 5 mg/ml,Ethanol: 10 mg/ml
- form
- Crystalline Powder and Chunks
- pka
- 10.3 · 10.30±0.18(Predicted)
- color
- Orange-brown to brown and gray
- Water Solubility
- Slightly soluble in water. Solubility in methanol is almost transparent.
- BRN
- 2045285 · 2045285
- InChI
- 1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3
- InChIKey
- LAQYHRQFABOIFD-UHFFFAOYSA-N
- SMILES
- COc1cc(O)ccc1O
- CAS DataBase Reference
- 824 · 824-46-4(CAS DataBase Reference)
- FDA UNII
- 2 HI6HNR5U1 · 2HI6HNR5U1
- NIST Chemistry Reference
- 1 · 1,4-Benzenediol, 2-methoxy-(824-46-4)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29095000 · 29095000
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29095000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-methoxyhydroquinone is a member of phenols. It finds its application in the formation of coniferyl alcohol from ferulic acid by the white rot fungus Trametes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Additional notes
DefinitionChEBI: 2-methoxyhydroquinone is a member of phenols.
Related reactions
29 records
Compound notes
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