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CAS No.: | 611-70-1 |
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Name: | Isobutyrophenone |
Article Data: | 441 |
Molecular Structure: | |
Formula: | C10H12O |
Molecular Weight: | 148.205 |
Synonyms: | Isobutyrophenone(6CI,8CI);1-Phenyl-2-methyl-1-propanone;2-Methyl-1-phenyl-1-propanone;2-Methyl-1-phenylpropanone;2-Methylpropiophenone;Isopropyl phenyl ketone;NSC6552;Phenyl isopropyl ketone;a-Methylpropiophenone; |
EINECS: | 210-275-0 |
Density: | 0.96 g/cm3 |
Melting Point: | 1 °C |
Boiling Point: | 221 °C at 760 mmHg |
Flash Point: | 79.3 °C |
Solubility: | immiscible with water |
Appearance: | clear colorless to very slightly yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 17.07000 |
LogP: | 2.52530 |
The 1-Propanone,2-methyl-1-phenyl- is an organic compound with the formula C10H12O. The IUPAC name of this chemical is 2-methyl-1-phenylpropan-1-one. With the CAS registry number 611-70-1 and EINECS 210-275-0, it is also named as 2-Methylpropiophenone. It is clear colorless to very slightly yellow liquid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.49; (6)ACD/BCF (pH 7.4): 50.49; (7)ACD/KOC (pH 5.5): 576.45; (8)ACD/KOC (pH 7.4): 576.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 45.5 cm3; (15)Molar Volume: 154.3 cm3; (16)Polarizability: 18.03×10-24 cm3; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.96 g/cm3; (19)Flash Point: 79.3 °C; (20)Enthalpy of Vaporization: 45.74 kJ/mol; (21)Boiling Point: 221 °C at 760 mmHg; (22)Vapour Pressure: 0.11 mmHg at 25°C.
Preparation of 1-Propanone,2-methyl-1-phenyl-: It can be obtained by isobutyryl chloride and benzene. This reaction needs reagent AlCl3 at ambient temperature. The reaction time is 1 hours. The yield is 89%.
Uses of 1-Propanone,2-methyl-1-phenyl-: It is used as photosensitizer intermediate. And it can react with bromoacetic acid ethyl ester to get 3-hydroxy-4-methyl-3-phenyl-valeric acid ethyl ester. This reaction needs reagents zinc and benzene.
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, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1ccccc1)C(C)C
2. InChI:InChI=1/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
3. InChIKey:BSMGLVDZZMBWQB-UHFFFAOYAD