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| CAS No.: | 62-44-2 |
|---|---|
| Name: | Phenacetin |
| Molecular Structure: | |
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| Formula: | C10H13NO2 |
| Molecular Weight: | 179.219 |
| Synonyms: | p-Acetophenetidide(8CI);4-(Acetylamino)phenetole;4-Ethoxy-1-acetylaminobenzene;4-Ethoxyacetanilide;4'-Ethoxyacetanilide;Aceto-4-phenetidine;Acetophenetidin;Acetophenetidine;Acetophenetin;Acetphenetidin;Fenidina;Fenina;Kalmin;N-(4-Ethoxyphenyl)acetamide;N-Acetyl-4-ethoxyaniline;N-Acetyl-p-ethoxyaniline;N-Acetyl-p-phenetidine;NSC 7651;Pertonal;Phenacetin;Phenacetine;Phenazetin;Phenedina;Phenidin;Phenin;p-Ethoxyacetanilide; |
| EINECS: | 200-533-0 |
| Density: | 1.099 g/cm3 |
| Melting Point: | 133-136 °C(lit.) |
| Boiling Point: | 355.1 °C at 760 mmHg |
| Flash Point: | 168.5 °C |
| Solubility: | 0.076 g/100 mL in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
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| Risk Codes: | 45-22-20/21/22 |
| Safety: | 53-45 |
| PSA: | 38.33000 |
| LogP: | 2.11670 |
| Conditions | Yield |
|---|---|
| With dipotassium peroxodisulfate In water at 100℃; for 0.166667h; Microwave irradiation; Green chemistry; | 94% |
| Conditions | Yield |
|---|---|
| With water for 0.25h; | 88% |
| With sulfuric acid | |
| With (2S)-N-methyl-1-phenylpropan-2-amine hydrate |
| Conditions | Yield |
|---|---|
| With hydrogen; AV-17-8-Pd anion exchanger In ethanol at 45℃; under 760 Torr; | 87.8% |
| Conditions | Yield |
|---|---|
| With pyridine; ammonium hydroxide; hydrogen sulfide In water | 62% |
| Multi-step reaction with 2 steps 2: phosphorus (V)-chloride; diethyl ether View Scheme |
| Conditions | Yield |
|---|---|
| In aq. acetate buffer at 102℃; for 5h; pH=4 - 5; Large scale; | 94.6% |
| Conditions | Yield |
|---|---|
| In aq. acetate buffer at 95 - 100℃; for 6h; pH=4 - 5; Large scale; | 95% |
| Conditions | Yield |
|---|---|
| In aq. acetate buffer at 95 - 100℃; for 6h; pH=4 - 5; Large scale; | 95.5% |
| Conditions | Yield |
|---|---|
| In aq. acetate buffer at 90 - 93℃; for 6.5h; pH=4 - 5; Large scale; | 94.7% |
| Conditions | Yield |
|---|---|
| sodium methylate In ethylene glycol at 120 - 125℃; for 3h; Conversion of starting material; | 79% |
| Conditions | Yield |
|---|---|
| sodium methylate In ethylene glycol at 120 - 125℃; for 3h; Conversion of starting material; | 75% |
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NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2A IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 310.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 13 (1977),p. 141.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 13 (1977),p. 141.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 24 (1980),p. 135.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 24 (1980),p. 135.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 24 (1980),p. 135.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.
Phenacetin, its cas register number is 62-44-2. It also can be called Aceto-p-phenetidin. Phenacetin is a white crystalline powder with the chemical composition C10H13NO2. Phenacetin is an analgesic, once widely used; its use has declined because of its adverse effects. In addition to its pain-reducing properties, it also has been used as a fever-reducer, a treatment for rheumatoid arthritis and a treatment for intercostal neuralgia, a rare disorder that causes pain in the nerves around the ribs.
Physical properties about Phenacetin are: (1)ACD/LogP: 1.655; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): 1.66; (4)ACD/BCF (pH 5.5): 10.67; (5)ACD/BCF (pH 7.4): 10.67; (6)ACD/KOC (pH 5.5): 189.43; (7)ACD/KOC (pH 7.4): 189.44; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 51.836 cm3; (13)Molar Volume: 163.025 cm3; (14)Polarizability: 20.549 10-24cm3; (15)Surface Tension: 39.0260009765625 dyne/cm; (16)Density: 1.099 g/cm3; (17)Flash Point: 168.531 °C; (18)Enthalpy of Vaporization: 60.016 kJ/mol; (19)Boiling Point: 355.054 °C at 760 mmHg
Preparation of Phenacetin: Phenacetin may be synthesized as an example of the Williamson ether synthesis: ethyl iodide, paracetamol, and anhydrous potassium carbonate are refluxed in 2-butanone to give the crude product, which is recrystallized from water.
When you are using this chemical, please be cautious about it as the following:
1. Avoid exposure - obtain special instruction before use;
2. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
You can still convert the following datas into molecular structure:
(1)InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12);
(2)InChIKey=CPJSUEIXXCENMM-UHFFFAOYSA-N;
(3)SmilesCCOc1ccc(cc1)NC(=O)C
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 260mg/kg (260mg/kg) | National Technical Information Service. Vol. PB282-666, | |
| guinea pig | LD50 | oral | 1870mg/kg (1870mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Toxicology and Applied Pharmacology. Vol. 2, Pg. 23, 1960. |
| hamster | LD50 | oral | 1690mg/kg (1690mg/kg) | BEHAVIORAL: COMA BEHAVIORAL: ATAXIA CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP | Pharmazie. Vol. 8, Pg. 572, 1953. |
| man | LDLo | unreported | 74mg/kg (74mg/kg) | "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970. | |
| mouse | LC50 | inhalation | 33900mg/m3 (33900mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 34(10), Pg. 36, 1969. | |
| mouse | LD50 | intraperitoneal | 540mg/kg (540mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 81, Pg. 659, 1961. | |
| mouse | LD50 | oral | 866mg/kg (866mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1644, 1978. | |
| mouse | LD50 | subcutaneous | 1625mg/kg (1625mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 25, 1958. | |
| rabbit | LD50 | oral | 2500mg/kg (2500mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(9), Pg. 53, 1977. | |
| rabbit | LD50 | subcutaneous | 1gm/kg (1000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 719, 1971. |
| rat | LD50 | intraperitoneal | 634mg/kg (634mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 62, Pg. 11, 1966. | |
| rat | LD50 | oral | 1650mg/kg (1650mg/kg) | Toxicology and Applied Pharmacology. Vol. 1, Pg. 240, 1959. | |
| rat | LD50 | oral | 1650mg/kg (1650mg/kg) | CARDIAC: PULSE RATE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toxicology and Applied Pharmacology. Vol. 1, Pg. 240, 1959. |
