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452-86-8

452-86-8 structural image
Product Name: 4-Methylcatechol
Formula: C7H8O2
Synonyms: 3,4-Dihydroxytoluene;4-Methyl-1,2-benzenediol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White or light brown solid; [Alfa Aesar MSDS]
Boiling Point 251 °C
Melting Point 65 °C
Vapor Pressure 0.0028 [mmHg]
LogP 1.37
Ionization Efficiency Positive
Collision Cross Section 121 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Kovats Retention Index 1246.1
Chemical Classes Other Classes -> Phenols

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H311:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 124.14 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 124.052429494 g/mol
Monoisotopic Mass 124.052429494 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 92.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4-methylcatechol is a methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies. It has a role as a hapten, a carcinogenic agent, an antioxidant, a human metabolite and a plant metabolite.

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SODIUM METAL PVT LTD

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Syn Finechem Laboratories Pvt Ltd.

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SaiSamarth International

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Mekong pharmaceuticals pvt ltd

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