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CAS No.: | 936-72-1 |
---|---|
Name: | ALLYL O-TOLYL ETHER |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C10H12O |
Molecular Weight: | 148.205 |
Synonyms: | Benzene,1-methyl-2-(2-propenyloxy)- (9CI);Ether, allyl o-tolyl (6CI,7CI,8CI);1-Methyl-2-[(2-propenyl)oxy]benzene;2-Allyloxytoluene;Allyl 2-methylphenylether;Allyl o-methylphenyl ether;Allyl o-tolyl ether;NSC 103149; |
Density: | 0.939 g/cm3 |
Melting Point: | 188-192?°C (dec.)(lit.) |
Boiling Point: | 206.5 °C at 760 mmHg |
Flash Point: | 76.5 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 9.23000 |
LogP: | 2.55980 |
The Allyl o-tolyl ether, also known as Benzene,1-methyl-2-(2-propen-1-yloxy)-, is the organic compound with the formula C10H12O. With the CAS registry number 936-72-1, its IUPAC name is 1-methyl-2-prop-2-enoxybenzene.
Physical properties of Allyl o-tolyl ether: (1)XLogP3: 3; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 3; (5)Exact Mass: 148.088815; (6)MonoIsotopic Mass: 148.088815; (7)Topological Polar Surface Area: 9.2; (8)Heavy Atom Count: 11; (9)Formal Charge: 0; (10)Complexity: 120; (11)Isotope Atom Count: 0; (12)Covalently-Bonded Unit Count: 1.
Preparation of Allyl o-tolyl ether: this chemical can be prepared by 2-methyl-phenol and 3-bromo-propene. This reaction will need reagent K2CO3 and solvent acetone. The reaction time is 8 hours. The yield is about 97%.
Uses of Allyl o-tolyl ether: it can be used to produce 2-Allyl-6-methyl-phenol at ambient temperature. This reaction will need reagent trifluoroacetic acid (TFA) with reaction time of 4 hours. The yield is about 86%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1OCC=C
(2)InChI: InChI=1S/C10H12O/c1-3-8-11-10-7-5-4-6-9(10)2/h3-7H,1,8H2,2H3
(3)InChIKey: LQOGVESOGIHDSO-UHFFFAOYSA-N