1-Adamantaneacetic acid
Synonym(s):1-Adamantylacetic acid
- CAS NO.：4942-47-6
- Empirical Formula: C12H18O2
- Molecular Weight: 194.27
- MDL number: MFCD00074728
- EINECS: 225-585-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:13:03
What is 1-Adamantaneacetic acid?
Chemical properties
white to off-white crystalline powder or crystals
The Uses of 1-Adamantaneacetic acid
1-Adamantaneacetic acid was used as an acylating agent in determining pharmacological characteristics of ten new analogues of bradykinin (Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg) that were modified in the N-terminal part of the molecule.
What are the applications of Application
1-Adamantaneacetic acid is an acylating agent
Biochem/physiol Actions
1-Adamantaneacetic acid is an inhibitor of chorismate mutase-prephenate dehydrogenase (EC 1.3.1.12) from Escherichia coli K12 (strain JP 232).
Purification Methods
Dissolve the acid in hot NaOH, treat with charcoal, filter and acidify. Collect the solid, wash it with H2O, dry and recrystallise it from MeOH. [Stetter et al. Chem Ber 92 1629 1959.] The acid chloride [2094-72-6] has M 168.7, m 51-54o, and b 135-136o/1mm. LACHRYMATORY.
Properties of 1-Adamantaneacetic acid
| Melting point: | 134-137 °C (lit.) |
| Boiling point: | 270.73°C (rough estimate) |
| Density | 1.0086 (rough estimate) |
| refractive index | 1.4949 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Solubility in Methanol - almost transparency |
| form | Crystalline Powder or Crystals |
| pka | 5.00±0.10(Predicted) |
| color | White to off-white |
| BRN | 641412 |
| CAS DataBase Reference | 4942-47-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Adamantaneacetic acid(4942-47-6) |
Safety information for 1-Adamantaneacetic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 1-Adamantaneacetic acid
| InChIKey | AOTQGWFNFTVXNQ-UHFFFAOYSA-N |
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