3-Methoxy-5-methylphenol - CAS 3209-13-0

Catalog:	BB021163
Product Name:	3-Methoxy-5-methylphenol
CAS:	3209-13-0
Synonyms:	3-methoxy-5-methylphenol

Technical Data

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Computed Properties

IUPAC Name:	3-methoxy-5-methylphenol
Description:	3-Methoxy-5-methylphenol (CAS# 3209-13-0) is a compound useful in organic synthesis.
Molecular Weight:	138.16
Molecular Formula:	C8H10O2
Canonical SMILES:	CC1=CC(=CC(=C1)OC)O
InChI:	InChI=1S/C8H10O2/c1-6-3-7(9)5-8(4-6)10-2/h3-5,9H,1-2H3
InChI Key:	NOTCZLKDULMKBR-UHFFFAOYSA-N
Boiling Point:	255.7 °C at 760 mmHg
Melting Point:	62-64 °C
Flash Point:	135.6°C
Purity:	95 %
Density:	1.078 g/cm³
Solubility:	water, 4810 mg/L @ 25 °C (est)
Appearance:	Crystalline powder
MDL:	MFCD00059261
LogP:	1.70920
Refractive Index:	1.53

Publication Number	Title	Priority Date
CN-113180286-A	Separation and purification method of macromolecular dephenolic acids in tree moss extract	20210428
CN-112796145-A	Moss scented cigarette paper, its preparation method and use	20210202
KR-102242940-B1	Method for preparing a non-reducing cleaning composition containing vegetable extracts and a non-reducing cleaning composition prepared thereby	20210119
CN-111060620-A	Method for analyzing and detecting effective components in spices	20191219
WO-2021110680-A1	Enol ether properfume	20191203

PMID	Publication Date	Title	Journal
12177504	20020801	O-methyltransferases involved in the biosynthesis of volatile phenolic derivatives in rose petals	Plant physiology
12123815	20020717	Biosynthesis of the major scent components 3,5-dimethoxytoluene and 1,3,5-trimethoxybenzene by novel rose O-methyltransferases	FEBS letters

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GHS Hazard Statement:	H302 (96.97%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	103
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:	1
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9