1,2-dimethylbenzene; 1,3-dimethylbenzene; 1,4-dimethylbenzene

• ChemBase ID: 105082
• Molecular Formular: C24H30
• Molecular Mass: 318.495
• Monoisotopic Mass: 318.23475096
• SMILES: Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1c(C)cccc1
• Canonical SMILES: Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C
• InChI: 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
• InChIKey: MVZVDAGWAAZJPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethylbenzene; 1,3-dimethylbenzene; 1,4-dimethylbenzene; 1,2-xylene; 1,3-xylene; 1,4-xylene
• IUPAC Traditional name: M-xylene; ortho-xylene; para-xylene
• Synonyms: Xylenes, Semiconductor Grade; Xylenes, ACS; Dimethylbenzenes + ethylbenzene; Xylenes, mixed; XYLENE ACS REAGENT GRADE; Xylol; XYLENE, Histological Grade; Xylene mixture of isomers; Xylenes; 二甲苯,半导体级; 二甲苯, ACS; 二甲苯, 混合物; 二甲苯异构体混合物; 二甲苯类化合物

Database IDs

• CAS Number: 1330-20-7
• EC Number: 215-535-7
• MDL Number: MFCD00077264
• Beilstein Number: 1901563
• Merck Index: 1410081
• PubChem SID: 24850075; 24890188; 24854880; 24878011; 162091996; 24885328; 24860522
• PubChem CID: 6850715

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0000887
• LogD (pH = 7.4): 3.0000887
• Log P: 3.0000887
• Molar Refractivity: 36.1404 cm^3
• Polarizability: 13.927072 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: APHA: ≤10; Liquid
• Melting Point: <-25°C; -47.9 - 13.3 °C
• Boiling Point: 137-140 °C(lit.); 137-144°C; 138.3 - 141.4 °C at 10130 hPa
• Flash Point: 25 °C; 29°C(84°F); 77 °F; ca. 25 °C (closed cup)
• Auto Ignition Point: 465 - 525 °C; 867 °F
• Density: .84 g/cm^3 at 25 °C; 0.86 g/mL at 25 °C(lit.); 0.860; 0.865 g/mL at 20 °C
• Refractive Index: 1.4970; n20/D 1.4960-1.4990; n20/D 1.497; n20/D 1.497(lit.)
• Vapor Pressure: 18 mmHg ( 37.7 °C); 88 - 120 hPa at 25 °C
• Vapor Density: 3.7 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C); Room Temperature (15-30°C), Protect from light
• RTECS: ZE2100000
• European Hazard Symbols: Flammable (F); Nature polluting (N); X; Harmful (Xn)
• UN Number: 1307; UN1307
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; II; III
• Australian Hazchem: 3Y
• Risk Statements: 10-20/21-38; R:10-20/21-38-53
• Safety Statements: 25; 36/37; S:16-23-25-28-29-36/37/39
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 130
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger; Warning
• Explode Limits: 7 %
• GHS Hazard statements: H226-H312-H315-H331; H226-H312-H315-H332; H226-H312-H332-H315-H303
• GHS Precautionary statements: P210-P262-P302+P352; P261-P280-P311; P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1307 3/PG 3

Product Information

• Purity: ≥80.0%; ≥97.0% (total assay of C8H10-isomers, GC); ≥98.5% (total assay of C8H10-isomers, GC); ≥98.5% xylenes + ethylbenzene basis; ≥98.5% xylenes + ethylbenzene basis (ethylbenzene <=25%); 97+%; 98.5+% (Assay, isomers plus ethylbenzene)
• Grade: ACS; ACS reagent; histological grade; puriss. p.a.; purum; REAGENT; reagent grade; SAJ first grade; SAJ special grade
• Compostion: C6H5CH2CH3, ≤25%
• Evaporation Residue: <0.002%; ≤0.002%
• Impurities: ~20% ethylbenzene; ≤0.0001% thiophene; ≤0.0005% free acid (as HCl); ≤0.0005% free alkali (as NaOH); ≤0.001% non-volatile matter; ≤0.002% non-volatile matter; ≤0.003% S compounds; ≤0.003% S-compounds (as S); ≤0.05% water; ≤0.05% water (Karl Fischer); ≤0.1% benzene (GC); ≤0.1% toluene; ≤25% C6H5CH2CH3; ≤25% ethylbenzene; ≤4% ethylbenzene; ≥96% total isomers (GC); H2SO4, passes test; H2SO4, passes test(substances darkened by sulfuric acid)
• Cation Traces: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.02 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Linear Formula: C6H4(CH3)2

DETAILS

MP Biomedicals - 02158692

(Xylol) Used in Giemsa cell staining protocols.

MP Biomedicals - 02158693

ACS Reagent Grade
This reagent is a mixture of ortho-,
meta-, and para-isomers and may contain ethylbenzene.

Sigma Aldrich - 214736

Packaging
1, 4 L in glass bottle
20 L in steel drum

Sigma Aldrich - 95692

Other Notes
Sales restrictions may apply

Sigma Aldrich - 95690

Other Notes
Sales restrictions may apply

Sigma Aldrich - 320579

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
1, 4 L in PVC coated

Sigma Aldrich - 33817

Other Notes
Pertains only in Germany: unversteuert

Sigma Aldrich - 676748

Packaging
4 L in aluminum bottle

Sigma Aldrich - 443379

Packaging
1 L in safety can

Sigma Aldrich - 534056

Packaging
20 L in steel drum
500 mL in glass bottle
4, 4×4 L in glass bottle

Sigma Aldrich - 247642

Packaging
1, 2.5 L in glass bottle
4×4 L in glass bottle
4, 4×4 L in PVC coated
poly-coated bottles available: product numbers 247642-1L-CB, 247642-4L-CB and 247642-4X4L-CB
20 L in steel drum
500 mL in glass bottle

Sigma Aldrich - 16446

Other Notes
Pertains only in Germany: unversteuert