3-Methoxybenzyl alcohol - CAS 6971-51-3

Catalog:	BB033938
Product Name:	3-Methoxybenzyl alcohol
CAS:	6971-51-3
Synonyms:	(3-methoxyphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(3-methoxyphenyl)methanol
Description:	3-Methoxybenzenemethanol can be used in the synthetic preparation of aromatic aldehydes, esters and carboxylic acids.
Molecular Weight:	138.16
Molecular Formula:	C8H10O2
Canonical SMILES:	COC1=CC=CC(=C1)CO
InChI:	InChI=1S/C8H10O2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3
InChI Key:	IIGNZLVHOZEOPV-UHFFFAOYSA-N
Boiling Point:	250 °C (723 mmHg)
Density:	1.112 g/cm³
Appearance:	Colorless to light yellow liqui
MDL:	MFCD00004637
LogP:	1.18750

Publication Number	Title	Priority Date
CN-113480394-A	Green synthesis method of alkylene fluorene	20210705
CN-113024360-A	Synthesis method of m-methoxy benzyl alcohol	20210330
CN-113087684-A	Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate	20210323
CN-113201020-A	Preparation method of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate	20210323
CN-112574081-A	Process for preparing arylthioamide compounds	20201212

PMID	Publication Date	Title	Journal
16292529	20060801	Characterization of four Rhodococcus alcohol dehydrogenase genes responsible for the oxidation of aromatic alcohols	Applied microbiology and biotechnology

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	93.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.068079557
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	138.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2