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W359505

Sigma-Aldrich

2,5-Xylenol

≥99%, FG

Synonym(s):

2,5-Dimethylphenol, 2-Hydroxy-p-xylene, p-Xylenol

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About This Item

Linear Formula:
(CH3)2C6H3OH
CAS Number:
95-87-4
Molecular Weight:
122.16
FEMA Number:
3595
Beilstein/REAXYS Number:
1099260
EC Number:
202-461-5
Council of Europe no.:
537
MDL number:
MFCD00002237
UNSPSC Code:
12164502
PubChem Substance ID:
24901801
Flavis number:
4.019
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 872/2012
FDA 21 CFR 110

assay

≥99%

bp

212 °C (lit.)

mp

73-78 °C

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

phenolic; sweet

SMILES string

Cc1ccc(C)c(O)c1

InChI

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

InChI key

NKTOLZVEWDHZMU-UHFFFAOYSA-N

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Danger

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

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Certificates of Analysis (COA)

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B J Day et al.
Research communications in chemical pathology and pharmacology, 76(1), 117-120 (1992-04-01)
Pulmonary metabolites of p-xylene, p-methylbenzyl alcohol (PMBA) and 2,5-dimethylphenol (DMP), were employed to investigate the divergent effects of p-xylene on pulmonary and hepatic metabolism. Rats were given PMBA, DMP, or 10% cremophore (control) ip daily for 3 days, and effects
C C Yeo et al.
Microbiology (Reading, England), 143 ( Pt 8), 2833-2840 (1997-08-01)
Pseudomonas alcaligenes NCIB 9867 (strain P25X), which grows on 2,5-xylenol and harbours the plasmid RP4, was mated with a plasmid-free derivative of Pseudomonas putida NCIB 9869, strain RA713, which cannot grow on 2,5-xylenol. Some RA713 transconjugants, initially selected on 2,5-xylenol
Chew Chieng Yeo et al.
Gene, 312, 239-248 (2003-08-12)
Pseudomonas alcaligenes NCIMB 9867 (strain P25X) produces isofunctional enzymes of the gentisate pathway that enables the degradation of xylenols and cresols via gentisate. Previous reports had indicated that one set of enzymes is constitutively expressed whereas the other set is
Separation and determination of phenol, alpha-naphthol m- and p-, o-cresols and 2,5-xylenol, and catechol in the urine after mixed exposure to phenol, naphthalene, cresols, and xylenols.
G Bieniek et al.
British journal of industrial medicine, 43(8), 570-571 (1986-08-01)
G Bieniek
Occupational and environmental medicine, 51(5), 354-356 (1994-05-01)
Phenol (87.3 mg/l), p-cresol (58.6 mg/l), o-cresol (76.9 mg/l), and 2,5-xylenol (36.7 mg/l) were detected in the urine of workers employed in the distillation of the high temperature phenolic fraction of tar (carbolic oil). The concentrations of these compounds in
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