Veratryl alcohol

HCID 7118CAS 93-03-8
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CO)cc1OC
InChIKey
OEGPRYNGFWGMMV-UHFFFAOYSA-N
Molecular formula
C9H12O3
Average molar mass
168.19 g/mol
Monoisotopic mass
168.07864424

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 alcohol93-03-8(3,4-Dimethoxyphenyl)methanolVERATRYL ALCOHOLBenzenemethanol, 3,4-dimethoxy-3,4-Dimethoxyphenylmethyl alcohol3,4-dimethoxybenzenemethanoldimethoxybenzyl alcoholMB4T4A711HNSC-6317DTXSID1059076CHEBI:62150
Show more names
3,4-DimethoVeratralcoholVeratryl AlcohoRARECHEM AL BD 00623,4-dimethoxybenzylolVerapamil EP Impurity E
RefChem:911763,4-dimethoxy benzenemethanolDTXCID2048826202-212-0veratrole alcoholMFCD00004638NSC 63173,4-dimethoxy-benzyl alcohol

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

Physicochemical properties

Melting point
22 °C · 22 °C
Boiling point
296 · 296-297 °C732 mm Hg(lit.)
Density
1.157 g/mL · 1.157 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.552(lit.)
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
29062990
risk_code
22-36/37/38
Signal word
Warning

Chemistry & industry

Applications · 4 items

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Additional notes · 1 item

DefinitionChEBI: (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 member of benzyl alcohols, a primary alcohol and a dimethoxybenzene.

Related reactions

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