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Safety Information

W359602

Sigma-Aldrich

3,4-Xylenol

≥98%, FG

Synonym(s):

3,4-Dimethylphenol, 4-Hydroxy-o-xylene

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About This Item

Linear Formula:
(CH3)2C6H3OH
CAS Number:
95-65-8
Molecular Weight:
122.16
FEMA Number:
3596
Beilstein:
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

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

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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).


Signal Word

Danger

Hazard Statements

H301 + H311,H314,H411

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

W359602-BULK:
W359602-VAR:
W359602-5KG:4548173979298
W359602-1KG:4548173979274
W359602-SAMPLE:
W359602-250G:4548173979281

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Certificates of Analysis (COA)

Lot/Batch Number
SHBL3889
SHBL3034
MKCF3476
MKCF2923
MKCC4206

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L Puig-Grajales et al.
Water science and technology : a journal of the International Association on Water Pollution Research, 48(6), 171-178 (2003-12-03)
Denitrification is a feasible alternative for the treatment of phenolic bearing-wastewaters. The aim of this study was to evaluate the biodegradability of phenolic compounds, as the only carbon and energy source in batch and continuous experiments, using nitrate as a
L C Ng et al.
Journal of bacteriology, 177(6), 1485-1490 (1995-03-01)
Pseudomonas putida P35X (NCIB 9869) metabolizes phenol and monomethylphenols via a chromosomally encoded meta-cleavage pathway. We have recently described a 13.4-kb fragment of the chromosome that codes for the first eight genes of the catabolic pathway and a divergently transcribed
M Bartilson et al.
Molecular & general genetics : MGG, 220(2), 294-300 (1990-01-01)
The gene organization of the phenol catabolic pathway of Pseudomonas CF600 has been investigated. This strain can grow on phenol and some methylated phenols by virtue of an inducible phenol hydroxylase and metacleavage pathway enzymes. The genes coding for these
A P Hart et al.
Journal of forensic sciences, 42(4), 693-696 (1997-07-01)
Phenol (carbolic acid) is widely used as a disinfectant as well as in the chemical industry as an intermediate in the synthesis of a variety of chemicals. Phenol is also the major metabolite of benzene which is used in many
Maria Concetta Tomei et al.
Environmental science and pollution research international, 15(3), 188-195 (2008-05-28)
In this study, attention was focused on substituted phenols because of their widespread presence in industrial effluents originating from many different sources: they are major constituents of wastewater from coal conversion processes, coke ovens, petroleum refineries and petrochemical industries, resin
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