W359602

3,4-Xylenol

≥98%, FG

• Synonym(s): 3,4-Dimethylphenol, 4-Hydroxy-o-xylene
• Linear Formula: (CH₃)₂C₆H₃OH
• CAS Number: 95-65-8
• Molecular Weight: 122.16
• FEMA Number: 3596
• Beilstein/REAXYS Number: 1099267
• EC Number: 202-439-5
• Council of Europe no.: 11262
• MDL number: MFCD00002304
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901802
• Flavis number: 4.048
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 872/2012
• assay: ≥98%
• bp: 227 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• organoleptic: burnt
• SMILES string: Cc1ccc(O)cc1C
• InChI: 1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
• InChI key: YCOXTKKNXUZSKD-UHFFFAOYSA-N

Description

Application

• Green Aromatic Epoxidation with an Iron Porphyrin Catalyst for One-Pot Functionalization of Renewable Xylene, Quinoline, and Acridine.: This study explores the green epoxidation of aromatic compounds using an iron porphyrin catalyst, demonstrating effective one-pot functionalization of renewable xylene derivatives, including 3,4-xylenol (Corrêa et al., 2023).


• A highly expressed odorant receptor from the yellow fever mosquito, AaegOR11, responds to (+)- and (-)-fenchone and a phenolic repellent.: This research identifies an odorant receptor in mosquitoes that responds to various compounds, including 3,4-dimethylphenol, which could have implications for developing new repellents (Lu et al., 2022).

Safety Information

• pictograms: GHS06,GHS05,GHS09
• signalword: Danger
• hcodes: H301 + H311,H314,H411
• pcodes: P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges