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873-66-5

873-66-5 structural image
Product Name: TRANS-BETA-METHYLSTYRENE
Formula: C9H10
Synonyms: trans-1-Phenyl-1-propene;trans-beta-Methylstyrene;trans-Propenylbenzene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear faintly yellow liquid; Stabilized with 0.01% butylated hydroxytoluene; [MSDSonline]
Boiling Point 175.5 °C
Melting Point -27.3 °C
Flash Point 52 °C
Solubility Sol in acetone, benzene, ether, ethanol
Density 0.9019 @ 25 °C
Vapor Density Relative vapor density (air = 1): 4.1
Vapor Pressure 0.97 [mmHg]
LogP log Kow = 3.35
Refractive Index Index of refraction = 1.5508 @ 20 °C
Kovats Retention Index 1019 1009.9 1008 992.3
Chemical Classes Plastics & Rubber -> Styrenes

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H226:Flammable liquids
H304:Aspiration hazard
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H334:Sensitisation, respiratory
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P331:Do NOT induce vomiting.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 118.18 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 118.078250319 g/mol
Monoisotopic Mass 118.078250319 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 86.2
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes