CAS No.637-50-3,TRANS-BETA-METHYLSTYRENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	637-50-3
Name:	TRANS-BETA-METHYLSTYRENE
Article Data:	387

Formula:	C₉H₁₀
Molecular Weight:	118.178
Synonyms:	NSC65591;b-Methylstyrene;b-Methylstyrol;w-Methylstyrene;Isoallylbenzene;1-Propenylbenzene;1-Phenylpropene;1-Propene, 1-phenyl-;1-Methyl-2-phenylethene;Benzene, propenyl- (8CI);Benzene,1-propenyl- (9CI);
EINECS:	212-848-0
Density:	0.906 g/cm³
Melting Point:	-27.1°C
Boiling Point:	167.5 °C at 760 mmHg
Flash Point:	49.4 °C
Solubility:	Insoluble in water
Hazard Symbols:	Xn,N,F,Xi
Risk Codes:	10-37/38-41-43-51/53-65
Safety:	16-26-36/37/39-61-62
PSA:	0.00000
LogP:	2.71970

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Specification

The Benzene, 1-propen-1-yl- is an organic compound with the formula C₉H₁₀. The IUPAC name of this chemical is [(E)-prop-1-enyl]benzene. With the CAS registry number 637-50-3, it is also named as β-Methyl styrene. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzene, 1-propen-1-yl- are: (1)ACD/LogP: 3.22; (2)ACD/LogD (pH 5.5): 3.22; (3)ACD/LogD (pH 7.4): 3.22; (4)ACD/BCF (pH 5.5): 165.7; (5)ACD/BCF (pH 7.4): 165.7; (6)ACD/KOC (pH 5.5): 1349.57; (7)ACD/KOC (pH 7.4): 1349.57; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 42.14 cm³; (11)Molar Volume: 130.4 cm³; (12)Polarizability: 16.7×10^-24cm³; (13)Surface Tension: 32 dyne/cm; (14)Density: 0.906 g/cm³; (15)Flash Point: 49.4 °C; (16)Enthalpy of Vaporization: 38.74 kJ/mol; (17)Boiling Point: 167.5 °C at 760 mmHg; (18)Vapour Pressure: 2.24 mmHg at 25°C.

Preparation of Benzene, 1-propen-1-yl-: this chemical can be prepared by allylbenzene. This reaction will need catalyst HRuCl(PPh₃)₃ and solvent toluene by heating.

Benzene, 1-propen-1-yl- can be prepared by allylbenzene

Uses of Benzene, 1-propen-1-yl-: it can be used to produce 2-phenyl-propionaldehyde. It will need reagents iodine, yellow HgO, aqueous diethyl ether.

Benzene, 1-propen-1-yl- can be used to produce 2-phenyl-propionaldehyde

When you are using this chemical, please be cautious about it as the following:
It is flammable and risk of serious damage to eyes. It may cause sensitisation by skin contact. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to respiratory system and skin. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable gloves and eye/face protection. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C(=Cc1ccccc1)C
(2)InChI: InChI=1/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3
(3)InChIKey: QROGIFZRVHSFLM-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3
(5)Std. InChIKey: QROGIFZRVHSFLM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	3600mg/kg (3600mg/kg)		Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.