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Key Documents

144134

Sigma-Aldrich

3,5-Dimethylphenol

≥99%

Synonym(s):

5-Hydroxy-m-xylene, sym.-m-Xylenol

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About This Item

Linear Formula:
(CH3)2C6H3OH
CAS Number:
Molecular Weight:
122.16
Beilstein:
774117
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

≥99%

form

fibers
solid

bp

222 °C (lit.)

mp

61-64 °C (lit.)
65-66 °C

SMILES string

Cc1cc(C)cc(O)c1

InChI

1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3

InChI key

TUAMRELNJMMDMT-UHFFFAOYSA-N

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Application

3,5-Dimethylphenol was used in simultaneous determination of urinary concentrations of phenol, o-, p-, m-cresols, 1-, 2-naphthol and xylenol isomers by capillary gas chromatography. It was used as starting reagent for total synthesis of landomycin A, most potent antitumor angucycline antibiotic and optically active polypropionate units.

Pictograms

Skull and crossbonesCorrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 2

Flash Point(F)

179.6 °F

Flash Point(C)

82 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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An attempt was made to establish a method for the simultaneous determination of urinary concentrations of phenol, o-, p- and m-cresols, 1- and 2-naphthol and xylenol isomers by capillary gas chromatography. Urine samples were extracted after acid hydrolysis of glucuronides

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