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
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. |
Reported in EPA TSCA Inventory.
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.
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 .
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