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| CAS No.: | 2142-73-6 |
|---|---|
| Name: | 2',5'-Dimethylacetophenone |
| Article Data: | 58 |
| Molecular Structure: | |
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|
|
| Formula: | C10H12O |
| Molecular Weight: | 148.205 |
| 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; |
| EINECS: | 218-399-7 |
| Density: | 1.451g/cm3 |
| Melting Point: | -18.1°C |
| Boiling Point: | 230.6 °C at 760 mmHg |
| Flash Point: | 88.8 °C |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36-20/22 |
| Safety: | 23-24/25 |
| PSA: | 17.07000 |
| LogP: | 2.50600 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In isopropyl alcohol for 15h; Irradiation; Inert atmosphere; | A 77% B 79% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene for 15h; Aromatization; Heating; | 53% |
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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.
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Uses of p-Chloropropiophenone: it can be used to produce 1-(2,5-dimethyl-phenyl)-ethanol. This reaction will need reagent LiAlH4.
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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