2-Methylresorcinol - CAS 608-25-3

Catalog:	BB030823
Product Name:	2-Methylresorcinol
CAS:	608-25-3
Synonyms:	2-methylbenzene-1,3-diol

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	2-methylbenzene-1,3-diol
Description:	2-Methylresorcinol (CAS# 608-25-3) is a useful research chemical.
Molecular Weight:	124.14
Molecular Formula:	C7H8O2
Canonical SMILES:	CC1=C(C=CC=C1O)O
InChI:	InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3
InChI Key:	ZTMADXFOCUXMJE-UHFFFAOYSA-N
Boiling Point:	264 °C
Density:	1.21 g/cm³
Appearance:	Colorless to light brown solid
MDL:	MFCD00002271
LogP:	1.40620

Publication Number	Title	Priority Date
CN-113461885-A	Phenolic resin for photoresist and preparation method thereof	20210809
CN-113429264-A	Continuous production method of 3-chloro-2-methylphenol and device for producing same	20210602
CN-113214051-A	Method for synthesizing 2, 6-dihydroxytoluene by using waste acid	20210511
CN-113233962-A	Method for continuously producing 2, 6-dihydroxytoluene	20210511
US-11137291-B1	Hair colorant assessment, selection and formulation system	20210308

PMID	Publication Date	Title	Journal
28115641	20170301	Endocrine Activity of AVB, 2MR, BHA, and Their Mixtures	Toxicological sciences : an official journal of the Society of Toxicology
24667653	20140525	Characterization of the structural determinants required for potent mechanism-based inhibition of human cytochrome P450 1A1 by cannabidiol	Chemico-biological interactions
24172244	20131029	Synthesis, characterization, X-ray structure and biological activities of C-5-bromo-2-hydroxyphenylcalix[4]-2-methyl resorcinarene	Molecules (Basel, Switzerland)
22814494	20120901	A novel Helicosporium isolate and its antimicrobial and cytotoxic pigment	Journal of microbiology and biotechnology
21692522	20110805	Synthesis of a series of aromatic benziporphyrins and heteroanalogues via tripyrrane-like intermediates derived from resorcinol and 2-methylresorcinol	The Journal of organic chemistry

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[37503-42-7]
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[861434-97-1]
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GHS Hazard Statement:	H301 (94.27%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	82.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.052429494
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	124.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6