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2',5'-Dimethylacetophenone

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Name

2',5'-Dimethylacetophenone

EINECS 218-399-7
CAS No. 2142-73-6 Density 1.451g/cm3
PSA 17.07000 LogP 2.50600
Solubility N/A Melting Point -18.1°C
Formula C10H12O Boiling Point 230.6 °C at 760 mmHg
Molecular Weight 148.205 Flash Point 88.8 °C
Transport Information N/A Appearance clear colorless to yellow liquid
Safety 23-24/25 Risk Codes 36-20/22
Molecular Structure Molecular Structure of 2142-73-6 (2',5'-Dimethylacetophenone) Hazard Symbols HarmfulXn
Synonyms

Acetophenone,2',5'-dimethyl- (6CI,7CI,8CI);1-(2,5-Dimethylphenyl)acetaldehyde;1-(2,5-Dimethylphenyl)ethanone;1-Acetyl-2,5-dimethylbenzene;2,5-Dimethylacetophenone;2',5'-Dimethylacetophenone;NSC 6325;

Article Data 58

2',5'-Dimethylacetophenone Synthetic route

106-42-3

para-xylene

75-36-5

acetyl chloride

2142-73-6

1-(2,5-dimethylphenyl)-1-ethanone

Conditions
ConditionsYield
With aluminum (III) chloride In chloroform at 0 - 20℃; Inert atmosphere;99%
With aluminum (III) chloride In carbon disulfide at 0 - 20℃; Friedel Crafts acylation; Inert atmosphere;95%
Friedel-Crafts alkylation;90%
106-42-3

para-xylene

108-24-7

acetic anhydride

2142-73-6

1-(2,5-dimethylphenyl)-1-ethanone

Conditions
ConditionsYield
With aluminium dodecatungsten phosphate at 60 - 70℃; for 6h;91%
With nano-sulfated titania at 50℃; for 2h; Friedel Crafts acylation; neat (no solvent);85%
With lithium perchlorate; hafnium tetrakis(trifluoromethanesulfonate) In nitromethane Ambient temperature;66%
106-42-3

para-xylene

38447-66-4

acetyl phenyl selenide

2142-73-6

1-(2,5-dimethylphenyl)-1-ethanone

Conditions
ConditionsYield
With 9,10-dimethoxyanthracene In acetonitrile at 20℃; Inert atmosphere; Irradiation;80%
1334498-58-6

S-(2-(3,4-dimethoxyphenyl)-2-oxoethyl) O-ethyl carbonodithioate

A

122-97-4

3-Phenyl-1-propanol

B

2142-73-6

1-(2,5-dimethylphenyl)-1-ethanone

Conditions
ConditionsYield
In isopropyl alcohol for 15h; Irradiation; Inert atmosphere;A 77%
B 79%
2039-89-6

2,5-dimethylstyrene

2142-73-6

1-(2,5-dimethylphenyl)-1-ethanone

Conditions
ConditionsYield
With iron(II) chloride In ethanol at 80℃; for 4h;78%
92778-28-4

1-(2,5-dimethylphenyl)-2-fluoroethanone

A

2142-73-6

1-(2,5-dimethylphenyl)-1-ethanone

B

92778-32-0

2-(1-Ethylsulfanyl-vinyl)-1,4-dimethyl-benzene

C

92778-33-1

2-(1,1-Bis-ethylsulfanyl-ethyl)-1,4-dimethyl-benzene

Conditions
ConditionsYield
With aluminium trichloride; ethanethiol In dichloromethane at 0℃; for 0.25h;A 11%
B 53%
C 8%
92778-28-4

1-(2,5-dimethylphenyl)-2-fluoroethanone

540-63-6

ethane-1,2-dithiol

A

2142-73-6

1-(2,5-dimethylphenyl)-1-ethanone

B

92778-32-0

2-(1-Ethylsulfanyl-vinyl)-1,4-dimethyl-benzene

C

92778-33-1

2-(1,1-Bis-ethylsulfanyl-ethyl)-1,4-dimethyl-benzene

Conditions
ConditionsYield
With aluminium trichloride In dichloromethane at 0℃; for 0.25h;A 11%
B 53%
C 8%
50690-11-4

2,5-dimethylphenacyl chloride

75-08-1

ethanethiol

A

2142-73-6

1-(2,5-dimethylphenyl)-1-ethanone

B

92778-32-0

2-(1-Ethylsulfanyl-vinyl)-1,4-dimethyl-benzene

C

92778-33-1

2-(1,1-Bis-ethylsulfanyl-ethyl)-1,4-dimethyl-benzene

Conditions
ConditionsYield
With aluminium trichloride In dichloromethane at 0℃; for 0.333333h;A 11%
B 53%
C 8%
92778-28-4

1-(2,5-dimethylphenyl)-2-fluoroethanone

75-08-1

ethanethiol

A

2142-73-6

1-(2,5-dimethylphenyl)-1-ethanone

B

92778-32-0

2-(1-Ethylsulfanyl-vinyl)-1,4-dimethyl-benzene

C

92778-33-1

2-(1,1-Bis-ethylsulfanyl-ethyl)-1,4-dimethyl-benzene

Conditions
ConditionsYield
With aluminium trichloride In dichloromethane at 0℃; for 0.25h;A 11%
B 53%
C 8%
7404-77-5

1-(2,5-dimethyl-2-hydroxy-5-nitrocyclohexyl)ethanone

2142-73-6

1-(2,5-dimethylphenyl)-1-ethanone

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene for 15h; Aromatization; Heating;53%

2',5'-Dimethylacetophenone Specification

The Ethanone,1-(2,5-dimethylphenyl)-, with CAS registry number 2142-73-6, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)C10; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 1-(2,5-dimethylphenyl)ethanone. This chemical is a kind of clear colorless to yellow liquid. What's more, its EINECS is 218-399-7.

Physical properties of Ethanone,1-(2,5-dimethylphenyl)-: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.51; (10)Molar Refractivity: 45.93 cm3; (11)Molar Volume: 153.5 cm3; (12)Polarizability: 18.2×10-24cm3; (13)Surface Tension: 32.9 dyne/cm; (14)Density: 0.965 g/cm3; (15)Flash Point: 88.8 °C; (16)Enthalpy of Vaporization: 46.72 kJ/mol; (17)Boiling Point: 230.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0653 mmHg at 25°C.

Preparation: this chemical can be prepared by acetyl chloride and 1,4-dimethyl-benzene. This reaction will need reagents AlCl3, carbon disulfide.

Uses of p-Chloropropiophenone: it can be used to produce 1-(2,5-dimethyl-phenyl)-ethanol. This reaction will need reagent LiAlH4.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2,5-dimethylphenyl)- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation and if swallowed, so avoid contact with skin and eyes. And do not breathe vapour.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)c1cc(C)ccc1C
(2)InChI: InChI=1/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3
(3)InChIKey: AWKBVLVKQQRRFQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3
(5)Std. InChIKey: AWKBVLVKQQRRFQ-UHFFFAOYSA-N

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