3,4,5-Trimethylphenol - CAS 527-54-8

Catalog:	BB027930
Product Name:	3,4,5-Trimethylphenol
CAS:	527-54-8
Synonyms:	3,4,5-trimethylphenol

Technical Data

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Computed Properties

IUPAC Name:	3,4,5-trimethylphenol
Description:	3,4,5-Trimethylphenol (CAS# 527-54-8 ) is a useful research chemical.
Molecular Weight:	136.19
Molecular Formula:	C9H12O
Canonical SMILES:	CC1=CC(=CC(=C1C)C)O
InChI:	InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
InChI Key:	FDQQNNZKEJIHMS-UHFFFAOYSA-N
Boiling Point:	248.5 °C at 760 mmHg
Density:	0.996 g/cm³
MDL:	MFCD00002305
LogP:	2.31740

Publication Number	Title	Priority Date
CN-113461885-A	Phenolic resin for photoresist and preparation method thereof	20210809
CN-112194553-A	Method and device for separating carbon nonaarene mixture	20201104
CN-112250536-A	Method and device for separating carbon nonaarene mixture	20201104
CN-213895662-U	Device for separating carbon nonaarene mixture	20201104
JP-2020152922-A	Fine particle-containing composition	20200624

PMID	Publication Date	Title	Journal
22688032	20120630	Polyphenolic profile as a useful tool to identify the wood used in wine aging	Analytica chimica acta

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	99.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.088815002
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.088815002
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3