Veratryl alcohol
Basic information
- CAS
93-03-8- Standard SMILES
COc1ccc(CO)cc1OC- InChIKey
OEGPRYNGFWGMMV-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Overview
(3,4-dimethoxyphenyl)methanol is a member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 3 and 4 of the phenyl group are substituted by methoxy groups. It has a role as a fungal metabolite. It is a primary alcohol, a member of benzyl alcohols and a dimethoxybenzene.
Names & identifiers
- Preferred name
- Veratryl alcohol
- IUPAC
- (3,4-dimethoxyphenyl)methanol
- English name
- 3,4-Dimethoxybenzyl alcohol
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
3,4-Dimethoxybenzyl alcohol(3,4-Dimethoxyphenyl)methanol93-03-8VERATRYL ALCOHOLBenzenemethanol, 3,4-dimethoxy-3,4-Dimethoxyphenylmethyl alcohol3,4-dimethoxybenzenemethanoldimethoxybenzyl alcoholMB4T4A711HNSC-6317DTXSID1059076CHEBI:62150
Show more names
3,4-DimethoVeratralcoholRARECHEM AL BD 00623,4-dimethoxybenzylolVerapamil EP Impurity E
RefChem:911763,4-dimethoxy benzenemethanolDTXCID2048826202-212-0veratrole alcoholMFCD00004638Veratryl alcohoNSC 6317
Database identifiers
- CAS
93-03-8- PubChem CID
- 7118
- DTXSID
DTXSID1059076- ChEBI
CHEBI:62150- UNII
- MB4T4A711H
- EC Number
- 202-212-0
- Nikkaji
- J10.605D
Properties
Computed structural properties
- XLogP
- 0.6
- 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
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionColorless viscous liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 22 °C · 22 °C
- Boiling point
- 296 to · 296 to 297 °C (565 to 567 °F; 569 to 570 K) 732 Torr
- Density
- 1.18 · 1.18
- refractive index
- 1.55 · 1.55
- Flash point
- 113 °C · 113 °C - closed cup
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.18 · 14.18±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
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
This chemical does not meet GHS hazard criteria for 1.8% (3 of 169) of reports.
Danger
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 169 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, 3,4-dimethoxy-
REACH registered substance: 3,4-dimethoxybenzyl alcohol (EC: 202-212-0)
Benzenemethanol, 3,4-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Peroxide Forming Chemical
3,4-Dimethoxybenzyl alcohol
D*: Other compounds that may form peroxides
1 samples had 3 ppm peroxide; age 7 yrs
Management of time-sensitive chemicals (JCHAS)
Hazard Classes and CategoriesAcute Tox. 4 (98.2%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2909499000
- risk_code
- 22-36/37/38
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanol, 3,4-dimethoxy-: ACTIVE
Applications
Uses3,4-Dimethoxybenzyl Alcohol is a secondary metabolite of some lignin degrading fungi. Recent studies have been conducted to explore whether 3,4-Dimethoxybenzyl Alcohol, a product from the biodegradati on of lignocellulosic biomass, could be used as the fuel of the microbial fuel cell (MFC) to generate power.
Uses3,4-Dimethoxybenzyl alcohol used as the fuel of the microbial fuel cell (MFC) to generate power. Veratrole alcohol is the raw material for the synthesis of cyclotriveratrylene which is used in host-guest chemistry.
Uses3,4-Dimethoxybenzyl alcohol is widely used in the synthesis of various cyclotriveratrylenes (CTVs), which are cyclic molecular hosts with a cavity to accommodate guest molecules. It can also be used as a precursor in the total synthesis of salvianolic acid N.
General DescriptionPharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
Upstream & downstream products
Upstream raw materials
Related reactions
57 records
Compound notes
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