3,4,5-Trimethoxybenzyl alcohol - CAS 3840-31-1

Catalog:	BB023662
Product Name:	3,4,5-Trimethoxybenzyl alcohol
CAS:	3840-31-1
Synonyms:	(3,4,5-trimethoxyphenyl)methanol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(3,4,5-trimethoxyphenyl)methanol
Description:	Present in the leaves of Acer truncatum.
Molecular Weight:	198.22
Molecular Formula:	C10H14O4
Canonical SMILES:	COC1=CC(=CC(=C1OC)OC)CO
InChI:	InChI=1S/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3
InChI Key:	QPHLRCUCFDXGLY-UHFFFAOYSA-N
Boiling Point:	228 °C (25 mmHg)
Purity:	97 %
Density:	1.233 g/cm³
Appearance:	Clear slight brown liquid.
MDL:	MFCD00004639
LogP:	1.20470

Publication Number	Title	Priority Date
CN-113244942-A	Non-metal nitrogen-doped porous carbon catalyst and method for preparing methyl carboxylate compound	20210427
CN-112225673-A	Amino combretastatin derivative and application thereof	20201113
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
CN-112794837-A	Synthesis method of isochroman compound	20191113

PMID	Publication Date	Title	Journal
22246731	20120301	Atropa belladonna hairy roots: orchestration of concurrent oxidation and reduction reactions for biotransformation of carbonyl compounds	Applied biochemistry and biotechnology
18800806	20081112	Revealing the metabonomic variation of rosemary extracts using 1H NMR spectroscopy and multivariate data analysis	Journal of agricultural and food chemistry
21201090	20080906	Triphenyl(3,4,5-trimethoxy-benzyl)-phospho-nium chloride monohydrate	Acta crystallographica. Section E, Structure reports online
12494335	20021201	Antimalarial agents from plants. III. Trichothecenes from Ficus fistulosa and Rhaphidophora decursiva	Planta medica

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Related Functional Groups

Alcohols and Derivatives

[113724-48-4]
(R)-1-(2-Methoxyphenyl)ethanol
[18621-17-5]
1-Benzhydrylazetan-3-ol
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1017184-54-1]
3-Amino-2-(2-pyridylmethyl)-1-propanol
[1251261-18-3]
3-Amino-2-(cyclohexylmethyl)-1-propanol

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.08920892
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.08920892
Rotatable Bond Count:	4
Topological Polar Surface Area:	47.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6