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| CAS No.: | 1083-57-4 |
|---|---|
| Name: | 3-HYDROXY-P-BUTYROPHENETIDINE |
| Molecular Structure: | |
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|
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| Formula: | C12H17 N O3 |
| Molecular Weight: | 223.272 |
| Synonyms: | p-Butyrophenetidide,3-hydroxy- (6CI,7CI,8CI);(?à)-Bucetin;3-Hydroxy-p-butyrophenetidide;Betadid;Bucetin;N-(b-Hydroxybutyryl)-p-phenetidine;p-Ethoxy-N-(b-hydroxybutyryl)aniline;b-Hydroxybutyric acidp-phenetidide;156674-12-3; |
| EINECS: | 214-109-8 |
| Density: | 1.151g/cm3 |
| Melting Point: | 160oC |
| Boiling Point: | 433.5oC at 760 mmHg |
| Flash Point: | 216oC |
| Hazard Symbols: | T |
| Risk Codes: | 45-46-20/21/22 |
| Safety: | Moderately toxic by ingestion and intraperitoneal routes. Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 58.56000 |
| LogP: | 1.86770 |
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Chemistry
Empirical Formula of Bucetin (CAS NO.1083-57-4): C12H17NO3
Molecular Weight: 223.2683
EINECS: 214-109-8
Index of Refraction: 1.558
Density: 1.151 g/cm3
Flash Point: 216 °C
Enthalpy of Vaporization: 72.68 kJ/mol
Boiling Point: 433.5 °C at 760 mmHg
Vapour Pressure: 2.77E-08 mmHg at 25 °C
Structure of Bucetin (CAS NO.1083-57-4):
IUPAC Name: N-(4-Ethoxyphenyl)-3-hydroxybutanamide
Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)CC(C)O
InChI: InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)
InChIKey: LIAWQASKBFCRNR-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mma-sat 2 µmol/plate | CPBTAL Chemical and Pharmaceutical Bulletin. 33 (1985),2877. | ||
| 2. | orl-rat LD50:7 g/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 15 (1965),727. | ||
| 3. | orl-mus LD50:2800 mg/kg | NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. 62 (1966),123. | ||
| 4. | ipr-mus LD50:790 mg/kg | NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. 62 (1966),123. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition Bucetin (CAS NO.1083-57-4) emits toxic fumes of NOx.
Hazard Codes: 
T
Risk Statements: 45-46-20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R45:May cause cancer.
R46:May cause heritable genetic damage.
Safety Statements: 53-22-36/37/39-45
S22:Do not breathe dust.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S53:Avoid exposure - obtain special instructions before use.
Specification
Bucetin , its cas register number is 1083-57-4. It also can be called 3-Hydroxy-p-butyrophenetidide ; Bucetinum ; beta-Oxybuttersaeure-p-phenetidid ; and 4'-Ethoxy-3-hydroxybutyranilide .