ethenylbenzene

• ChemBase ID: 107473
• Molecular Formular: C8H8
• Molecular Mass: 104.14912
• Monoisotopic Mass: 104.06260026
• SMILES: C=Cc1ccccc1
• Canonical SMILES: C=Cc1ccccc1
• InChI: InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
• InChIKey: PPBRXRYQALVLMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenylbenzene
• IUPAC Systematic name: Ethenylbenzene
• IUPAC Traditional name: styrene
• Synonyms: CARINE; Styrene; Vinyl benzene; cinnamene; styrol; phenylethene; diarex HF 77; styrolene; styropol; vinylbenzene; Phenylethylene; Styrene solution; Polystyrene latex microsphere, 1 micron, dry form; Polystyrene, atactic; Polystyrene latex microsphere, fluorescent, 6.0 micron, 2.5 wt% dispersion in water; Styrene; Polystyrene latex microsphere, 1 micron, 10 wt% dispersion in water; Polystyrene latex microsphere, 2 micron, 10 wt% dispersion in water; Polystyrene latex microsphere, 0.05 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 25.0 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 0.10 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 4.5 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 15.0 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 10.0 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 0.75 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 45.0 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 0.20 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 0.50 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 20.0 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 2 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 75.0 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 90.0 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 6.0 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 1 micron, 2.5 wt% dispersion in water; Ethenylbenzene; Maomin SM; NSC 62785; Phenethylene; Styrole; Styropol SO; TTB 7302; Vinylbenzol; 乙烯基苯; 苯乙烯 溶液; 聚苯乙烯乳液微球, 1微米, 干态; 无规聚苯乙烯; 聚苯乙烯乳胶微球,荧光, 6.0微米, 2.5 wt% 水分散体; 聚苯乙烯, 无规则; 苯乙烯; 聚苯乙烯乳胶微球, 1微米; 聚苯乙烯乳胶微球, 2微米, 10 wt% 水分散液; 聚苯乙烯乳胶微球, 25.0微米, 2.5 wt% 水分散液; 聚苯乙烯乳胶微球, 0.05微米, 2.5 wt% 水分散液; 聚苯乙烯乳胶微球, 0.10微米, 2.5 wt% 水分散液; 聚苯乙烯乳胶微球, 4.5微米, 2.5 wt% 水分散液; 聚苯乙烯乳胶微球, 15.0微米, 2.5 wt% 水分散液; 聚苯乙烯乳胶微球, 10.0微米, 2.5 wt% 水分散液; 聚苯乙烯乳胶微球, 0.75微米, 2.5 wt%水分散液; 聚苯乙烯乳胶微球, 45.0微米, 2.5 wt%水分散液; 聚苯乙烯乳胶微球, 0.20微米, 2.5 wt% 水分散液; 聚苯乙烯乳胶微球, 0.50微米, 2.5 wt% 水分散液; 聚苯乙烯乳胶微球, 20.0微米, 2.5 wt% 水分散液; 聚苯乙烯乳胶微球, 2微米, 2.5 wt%水分散液; 聚苯乙烯乳胶微球, 75.0微米, 2.5 wt%水分散液; 聚苯乙烯乳胶微球, 6.0微米, 2.5 wt% 水分散液; 聚苯乙烯乳胶微球, 1微米, 2.5 wt%水分散液; 聚苯乙烯乳胶微球, 90.0微米, 2.5 wt%水分散液

Database IDs

• CAS Number: 9003-53-6; 100-42-5
• EC Number: 200-659-6; 202-851-5
• MDL Number: MFCD03703262; MFCD00008612; MFCD00084450
• Beilstein Number: 1071236
• Merck Index: 148860
• PubChem SID: 24869620; 24902119; 24899624; 24871895; 162095074; 24901572
• PubChem CID: 7501
• CHEBI ID: 27452
• CHEMBL: 285235
• Chemspider ID: 7220
• FEMA ID: 3233
• KEGG ID: C07083
• Unique Ingredient Identifier: 44LJ2U959V
• Wikipedia Title: Styrene
• Council of Europe Number: 11022
• Flavis Number: 1.015

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7099478
• LogD (pH = 7.4): 2.7099478
• Log P: 2.7099478
• Molar Refractivity: 35.7443 cm^3
• Polarizability: 13.950644 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: < 1% in water
• Apperance: Beads; colorless oily liquid; Flakes; Liquid
• Melting Point: -30°C; -31 °C(lit.); -31°C
• Boiling Point: 145°C; 145-146 °C(lit.); 145-146°C
• Flash Point: 10 °C; 104 °F; 31 °C; 31°C(88°F); 32 °C; 40 °C; 50 °F; 89.6 °F
• Auto Ignition Point: 490 °F; 914 °F
• Density: 0.906; 0.906 g/mL at 20 °C; 0.906 g/mL at 25 °C; 0.909 g/cm3; 0.997 g/mL at 20 °C
• Refractive Index: 1.5460; 1.5469; n20/D 1.465; n20/D 1.546; n20/D 1.546(lit.); n20/D 1.547
• Vapor Pressure: 12.4 mmHg ( 37.7 °C); 4.3 mmHg ( 15 °C)
• Vapor Density: 3.6 (vs air)
• Viscosity: 0.762 cP at 20 °C
• Organoleptic: medicinal; plastic

Safety Information

• Storage Warning: Air Sensitive
• RTECS: WL3675000
• European Hazard Symbols: Flammable (F); Toxic (T); X; Harmful (Xn)
• UN Number: 1230; 1993; 2055; UN2055
• German water hazard class: 1; 2
• Hazard Class: 3
• Packing Group: 2; 3; III
• Risk Statements: 10-20-36/38; 11-23/24/25-39/23/24/25; R10 R36
• Safety Statements: 2-23; 23; 26; 7-16-36/37-45; S38 S20 S23
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• Main Hazard: flammable, toxic
• NFPA704:
  

  3

  2

  2

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• Explode Limits: 6.1 %
• GHS Hazard statements: H225-H301-H311-H331-H370; H226-H315-H319; H226-H315-H319-H332; H226-H332-H315-H319
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P403+P235-P501A; P210-P260-P280-P301 + P310-P311; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2; UN 1993 3/PG 3; UN 2055 3/PG 3
• Storage Temperature: 2-8°C

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5% (GC); 99%, stab. with 10-15ppm 4-tert-butylcatechol; 99.5% stab. with 4-tert-butylcatechol; 99.9%
• Concentration: 20 wt. % in dipropylene glycol; 200 μg/mL in methanol
• Grade: analytical standard; analytical standard, for environmental analysis; NI; puriss.; purum; ReagentPlus®; SAJ first grade
• Packaging: ampule of 1 mL
• Contains: ~0.005% 4-tert-butylcatechol as stabilizer; 10-15 ppm 4-tert-butylcatechol as inhibitor; 4-tert-butylcatechol as stabilizer
• Quality: stabilized
• Linear Formula: C6H5CH=CH2
• Empirical Formula (Hill Notation): C8H8

DETAILS

MP Biomedicals - 05203857

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 240869

Packaging
100 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 45993

Caution
limited shelf life

Sigma Aldrich - S4972

Other Notes
Inhibitor depletes over time especially at higher temperatures
Packaging
1, 4 L in glass bottle
16.5 L in steel drum
5, 100, 500 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Toronto Research Chemicals - S687790

Used in the manufacturing plastics; synthetic rubber; resins; insulator.

REFERENCES

• Meyer. H.J., et al.: Arzneim.-Forsch., 19, 617 (1969)
• Pahwa, R., et al.: Vet. Hum. Toxicol., 35, 516 (1969)