Basic information
- CAS
500-99-2- Standard SMILES
COc1cc(O)cc(OC)c1- InChIKey
XQDNFAMOIPNVES-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- 3,5-Dimethoxyphenol
- IUPAC
- 3,5-dimethoxyphenol
- English name
- 3,5-Dimethoxyphenol
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
3,5-Dimethoxyphenol500-99-2Phenol, 3,5-dimethoxy-TaxicatigeninPhloroglucinol dimethyl ether1-Hydroxy-3,5-dimethoxybenzene23UXW8136ANSC-70955DTXSID7075426phloroglucindimethyletherRefChem:4869021,3-dimethoxy-5-hydroxybenzene
Show more names
NSC 709553,5-Dimethoxyphenol>3,5-DiMethoxyphenol 99%3,5-Dimethoxyphenol,97%DIMETHOXYPHENOL, 3,5-(P)Phloroglucinol Impurity 24Phloroglucin dimethyl ether
DTXCID3040772207-917-73,5-dimethoxy phenolMFCD00008388UNII-23UXW8136APhenol,5-dimethoxy-3,5-dimethoxy-phenols6071
Database identifiers
- CAS
500-99-2- PubChem CID
- 10383
- DTXSID
DTXSID7075426- ChEMBL
CHEMBL462989- ChEBI
CHEBI:88715- UNII
- 23UXW8136A
- EC Number
- 207-917-7
- Nikkaji
- J107.380J
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 104
Experimental & physicochemical properties
Kovats Retention Index
1531
1472
2848；2858
Collision Cross Section125.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 40 · 40-43 °C (lit.)
- Boiling point
- 172 · 172-175 °C/17 mmHg (lit.)
- Density
- 1.169 · 1.1690 (rough estimate)
- refractive index
- 1.4745 · 1.4745 (estimate)
- Flash point
- 173 °F · 173 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 1 · pK1:9.345 (25°C)
- form
- Liquid
- color
- Clear colorless to orange-red to pale pink-brownish
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 162 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationPhenol, 3,5-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (99.4%)
Regulatory information
Regulatory InformationPhenol, 3,5-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- F
- 10
- PPE
Chemistry & industry
Applications
Uses3,5-dimethoxyphenol is a marker for poisoning from Taxus baccata.
Uses3,5-Dimethoxyphenol is a phenol derivative as antinitrosating agent.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Related reactions
58 records
Compound notes
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