| | 2-Phenyl-1-propene Basic information |
| Product Name: | 2-Phenyl-1-propene | | Synonyms: | (1-methylethenyl)-benzen;(1-Methylethenyl)benzene;(1-methyl-ethenyl)-benzene;1-methyl-1-phenylethene;1-Methyl-1-phenylethylene;1-methylethenyl-Benzene;1-methylethenylbenzine;1-methylethylenebenzene | | CAS: | 98-83-9 | | MF: | C9H10 | | MW: | 118.18 | | EINECS: | 202-705-0 | | Product Categories: | Pyridines;Industrial/Fine Chemicals | | Mol File: | 98-83-9.mol |  |
| | 2-Phenyl-1-propene Chemical Properties |
| Melting point | −24 °C(lit.) | | Boiling point | 165-169 °C(lit.) | | density | 0.909 g/mL at 25 °C(lit.) | | vapor density | 4.1 (vs air) | | vapor pressure | 2.1 mm Hg ( 20 °C) | | refractive index | n20/D 1.539 | | Fp | 114 °F | | storage temp. | 2-8°C | | solubility | 560mg/l | | form | Liquid | | color | Clear colorless | | PH | 5-6 (500g/l, H2O) | | explosive limit | 0.9-6.6%(V) | | Water Solubility | insoluble | | BRN | 969405 | | Exposure limits | NIOSH REL: TWA 50 ppm (240 mg/m3), STEL 100 ppm (485 mg/m3), IDLH
700 ppm; OSHA PEL: ceiling 100 ppm; ACGIH TLV: TWA 50 ppm, STEL 100 ppm (adopted). | | InChIKey | XYLMUPLGERFSHI-UHFFFAOYSA-N | | LogP | 3.48 at 25℃ | | CAS DataBase Reference | 98-83-9(CAS DataBase Reference) | | IARC | 2B (Vol. 101) 2013 | | NIST Chemistry Reference | «alpha»-Methylstyrene(98-83-9) | | EPA Substance Registry System | .alpha.-Methylstyrene (98-83-9) |
| Hazard Codes | Xi,N | | Risk Statements | 10-36/37-51/53 | | Safety Statements | 61 | | RIDADR | UN 2303 3/PG 3 | | WGK Germany | 2 | | RTECS | WL5075300 | | Autoignition Temperature | 445 °C | | TSCA | Yes | | HS Code | 2902 90 00 | | HazardClass | 3 | | PackingGroup | III | | Hazardous Substances Data | 98-83-9(Hazardous Substances Data) | | Toxicity | LD50 orally in Rabbit: 4900 mg/kg | | IDLA | 700 ppm |
| | 2-Phenyl-1-propene Usage And Synthesis |
| Chemical Properties | clear colourless liquid | | Chemical Properties | Methylstyrene is a colorless liquid with a characteristic odor. | | Physical properties | Colorless liquid with a sharp aromatic odor. Odor threshold concentration is 290 ppb (quoted,
Amoore and Hautala, 1983). | | Uses | Intermediate for ABS plastics, Styrene - Butadiene rubber, Polystyrene, Styrene - Acrylonitrile Resins, Perfumery, Polyalphamethyl Styrene, Polyester resins | | Uses | Polymerization monomer, especially forpolyesters. | | Uses | α-Methylstyrene is not a styrenic monomer in the strict sense. The methyl substitution on the side chain, rather than the aromatic ring, moderates its reactivity in polymerization. It is used as a specialty monomer in ABS resins, coatings, polyester resins, and hot-melt adhesives. As a copolymer in ABS and polystyrene, it increases the heat-distortion resistance of the product. In coatings and resins, it moderates reaction rates and improves clarity. | | Definition | ChEBI: Alpha-Methylstyrene is an olefinic compound. | | Production Methods | α-Methylstyrene (AMS) is produced as a by-product in the production of phenol and acetone from cumene. | | Synthesis Reference(s) | Journal of the American Chemical Society, 108, p. 1322, 1986 DOI: 10.1021/ja00266a047
Tetrahedron Letters, 21, p. 2531, 1980 DOI: 10.1016/0040-4039(80)80120-1
Synthesis, p. 1034, 1987 DOI: 10.1055/s-1987-28164 | | General Description | A colorless liquid. Insoluble in water and less dense than water. Flash point 115°F. May be mildly toxic by ingestion, inhalation and skin absorption. Vapors may be narcotic by inhalation. Used as a solvent and to make other chemicals. | | Air & Water Reactions | Flammable. Oxidizes readily in air to form unstable peroxides that may explode spontaneously [Bretherick, 1979 p.151-154, 164]. Insoluble in water. | | Reactivity Profile | 2-Phenyl-1-propene is easily peroxidizable; the peroxide may initiate exothermic polymerization of the bulk material. Reacts violently with strong oxidizing agents [Handling Chemicals Safely, 1980 p. 866; Bretherick, 1979 p. 160]. | | Hazard | Moderate fire risk. Explosive limits in air1.9–6.1%. Avoid inhalation and skin contact. Upperrespiratory tract irritant, kidney and female repro-ductive damage. Possible carcinogen. | | Health Hazard | Inhalation causes irritation of respiratory tract, headache, dizziness, light-headedness, and breathlessness. Ingestion causes irritation of mouth and stomach. Contact with liquid irritates eyes. Prolonged skin contact can cause severe rashes, swelling, and blistering. | | Safety Profile | Mildly toxic by
inhalation. Human systemic effects by
inhalation: irritant effects. A skin and eye
irritant. Flammable when exposed to heat or
flame; can react vigorously with oxidizing
materials. When heated to decomposition it
emits acrid smoke and irritating fumes. | | Potential Exposure | Methylstyrene is used as additive,
plasticizer, and copolymer; used in the production of
modified polyester and alkyd resin formulations. | | Environmental fate | Chemical/Physical. Polymerizes in the presence of heat or catalysts (Hawley, 1981). | | Shipping | UN2303 Isopropenylbenzene, Hazard Class: 3;
Labels: 3-Flammable liquid | | Purification Methods | Wash the monomer three times with aqueous 10% NaOH (to remove inhibitors such as quinol), then six times with distilled water, dry with CaCl2 and distil it unde | | Incompatibilities | Vapors may form explosive mixture
with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away
from alkaline materials, strong bases, strong acids, oxoacids,
epoxides, peroxides, halogens, catalysts for vinyl or ionic
polymers; aluminum, iron chloride; copper. Methylstyrene
may form unstable peroxides; may polymerize. Usually
contains an inhibitor, such as tert-butyl catechol. | | Waste Disposal | ncineration, often by admixture with a more flammable solvent |
| | 2-Phenyl-1-propene Preparation Products And Raw materials |
| Raw materials | Benzene-->PROPYLENE-->2-Amino-3-chlorobenzoic acid | | Preparation Products | Triphenyl phosphate-->High temperature levelling agent BOF-->Antioxidant ZM-405-->1-(1-cycloprop-2-enyl)-2-methyl-benzene-->Atropaldehyde-->Benzene, 1,1'-(1,4-dimethyl-1,3-butadiene-1,4-diyl)bis--->1H-Indene, 2,3-dihydro-1,1-dimethyl-3-phenyl--->1,1,2,3,3-pentamethylindan-->METHYLCINNAMALDEHYDE |
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