33817

Xylenes

puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur.

• Synonym(s): Xylene mixture of isomers
• Linear Formula: C₆H₄(CH₃)₂
• CAS Number: 1330-20-7
• Molecular Weight: 106.17
• EC Number: 215-535-7
• MDL number: MFCD00077264
• UNSPSC Code: 12352002
• PubChem Substance ID: 329754659
• assay: ≥98.50%
• bp: 137-140 °C (lit.)
• vapor pressure: 18 mmHg ( 37.7 °C)

Properties

• grade: ACS reagent; puriss. p.a.
• agency: USP/NF; reag. ISO; reag. Ph. Eur.
• vapor density: 3.7 (vs air)
• vapor pressure: 18 mmHg ( 37.7 °C)
• assay: ≥98.50%
• form: liquid
• expl. lim.: 7 %
• dilution: (for analytical testing)
• impurities: ≤0.0001% thiophene; ≤0.0005% free acid (as HCl); ≤0.0005% free alkali (as NaOH); ≤0.001% non-volatile matter; ≤0.003% S-compounds (as S); ≤0.05% water (Karl Fischer); ≤0.1% benzene (GC); ≤0.1% toluene; ≤4% ethylbenzene; ≥96% total isomers (GC)
• refractive index: n20/D 1.497 (lit.)
• bp: 137-140 °C (lit.)
• mp: -34 °C
• density: 0.86 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.02 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• SMILES string: Cc1ccc(C)cc1.Cc2cccc(C)c2.Cc3ccccc3C
• InChI: 1S/3C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3*3-6H,1-2H3
• InChI key: MVZVDAGWAAZJPE-UHFFFAOYSA-N

Description

General description

The product (Xylenes) is the mixture of isomeric ortho-, meta- and para-forms of xylene. Its dispersed emission and time of flight mass spectra have been reported. Transitions from S₁ ↔ S₀ states have been found to be within the range of 100cm^-1 and were reported to be arising due to the internal rotation of ring methyl groups.[1] Time-resolved in situ FTIR spectroscopic and gas chromatographic studies have been carried out to study its diffusion coefficients, adsorption rates and isomerization efficacy over HSZM-5 zeolite surfaces.[2]

Other Notes

Pertains only in Germany: unversteuert

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H226,H304,H312 + H332,H315,H319,H335,H373,H412
• pcodes: P210 - P273 - P280 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
• target_organs: Central nervous system,Liver,Kidney, Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 77.0 °F - closed cup
• flash_point_c: 25 °C - closed cup