Basic information
- CAS
33524-31-1- Standard SMILES
COc1ccc(OC)c(CO)c1- InChIKey
WGQMUABRZGUAOS-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 2,5-Dimethoxybenzyl alcohol
- IUPAC
- (2,5-dimethoxyphenyl)methanol
- English name
- 2,5-DIMETHOXYBENZYL ALCOHOL
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
2,5-Dimethoxybenzyl alcohol33524-31-1EINECS 251-562-0DTXSID80187166RefChem:444468DTXCID90109657251-562-0(2,5-Dimethoxyphenyl)methanolMFCD00004615Benzenemethanol, 2,5-dimethoxy-SCHEMBL487944AKOS000121223
Show more names
AURORA KA-7072RARECHEM AL BD 05332,5-Dimethoxybenzenemethanol2,5-DIMETHOXYBENZYL ALCOHOL 99%2,5-Dimethoxybenzyl alcohol,99%2,5-DiMethoxybenzyl alcohol, 99% 25ML2,5-Dimethoxy-1-(hydroxymethyl)benzene
BS-42237SY283768EN300-21707Z104509944(2,5-Dimethoxyphenyl)methanol; 1-(Hydroxymethyl)-2,5-dimethoxybenzene; 2,5-Dimethoxybenzenemethanol;2,5-dimethoxylbenzylalcoholSCHEMBL487942SCHEMBL6631188
Database identifiers
- CAS
33524-31-1- PubChem CID
- 118495
- DTXSID
DTXSID80187166- ChEMBL
CHEMBL3415519- EC Number
- 251-562-0
- Nikkaji
- J149.882G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
Physical DescriptionColorless viscous liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 45 · 45-48 °C
- Boiling point
- 122 · 122-125 °C1 mm Hg(lit.)
- Density
- 1.173 g/mL · 1.173 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.547(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Methanol
- form
- Viscous Liquid
- pka
- 14.16 · 14.16±0.10(Predicted)
- color
- Clear colorless to light yellow
- BRN
- 1947607 · 1947607
- InChI
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
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 2,6-Dimethoxyphenol and Hydroquinone dimethyl ether.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- hs_code
- 29094980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-24/25-36/37-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2,5-Dimethoxybenzyl Alcohol can be used as a self-indicating standard for the determination of organolithium reagents
Uses2,5-Dimethoxybenzyl alcohol was used as starting reagent in the synthesis of [(S)S]-3,6-dimethoxy-2-(p-tolylsulfinyl)-benzaldehyde. It was used in the synthesis of daunornycinone. It was also used in the preparation of pillar[n]arenes (n = 5 or 6) via cyclooligomerization reaction with an appropriate Lewis acid catalyst.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers66 total
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd
Related reactions
18 records
Compound notes
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