Azacyclotridecan-2-one
Synonym(s):Aza-2-cyclotridecanone;Cyclododecanone isooxime;Laurolactam
- CAS NO.：947-04-6
- Empirical Formula: C12H23NO
- Molecular Weight: 197.32
- MDL number: MFCD00005104
- EINECS: 213-424-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-08-22 13:52:55
What is Azacyclotridecan-2-one?
Chemical properties
Dry PowderSolid; very faintly beige crystalline lumps. Virtually insol in water.
Preparation
One route to dodecyllactam is from butadiene as follows:
Butadiene is trimerized with a Ziegler-Natta catalyst to give 1,5,9-cyclododecatriene which is then hydrogenated to cyclododecane. Dodecyllactam is then obtained by a series of reactions similar to those used to prepare caprolactam from cyclohexane.
Definition
ChEBI: Laurolactam is an azamacrocycle and a keratan 6'-sulfate.
Health Hazard
The acute oral LD50 was 2,330 mg/kg bw (rat) with central nervous system stimulation (trembling, convulsive twitches, ataxia) as the main clinical sign appearing at about 1,580 mg/kg bw. The dermal LD50 was greater than 2,000 mg/kg bw (rat). Decreased food consumption and stagnation of body weight development were noted. Validacute inhalation studies are not available. Azacyclotridecan-2-one was not irritating to the rabbit skin or eye (OECD TG 404, 405). It was not sensitizing in aguinea pig maximization test (OECD TG 406; 1981).
Purification Methods
Azacyclotridecan-2-one crystallises from CHCl3 and is stored over P2O5 in a vacuum desiccator. [Beilstein 26/1 V 566.]
Properties of Azacyclotridecan-2-one
| Melting point: | 150-153 °C(lit.) |
| Boiling point: | 334.44°C (rough estimate) |
| Density | 0.9415 (rough estimate) |
| vapor pressure | 0.001Pa at 20℃ |
| refractive index | 1.4400 (estimate) |
| Flash point: | 195 °C |
| pka | 16.91±0.20(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| Water Solubility | 223mg/L at 20℃ |
| BRN | 122031 |
| EPA Substance Registry System | Azacyclotridecan-2-one (947-04-6) |
Safety information for Azacyclotridecan-2-one
| Signal word | Warning |
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H371:Specific target organ toxicity, single exposure H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P405:Store locked up. P501:Dispose of contents/container to..… |
Computed Descriptors for Azacyclotridecan-2-one
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