a-(1-Adamantyl)acetic acid
tricyclo[3.3.1.13,7]dec-1-ylacetic acid
CAS: 4942-47-6
Molecular Formula: C12H18O2
a-(1-Adamantyl)acetic acid - Names and Identifiers
| Name | tricyclo[3.3.1.13,7]dec-1-ylacetic acid |
| Synonyms | 1-adaMantineacetic acid 1-Adamantaneacetic acid 1-Adamantane Acetic Acid Adamantane-1-acetic acid (Adamant-1-yl)acetic acid a-(1-Adamantyl)acetic acid 2-(adaMantan-1-yl)acetic acid tricyclo[3.3.1.1~3,7~]dec-1-ylacetate Tricyclo(3.3.1.13,7)dec-1-ylacetic acid tricyclo[3.3.1.13,7]dec-1-ylacetic acid tricyclo[3.3.1.1~3,7~]dec-1-ylacetic acid |
| CAS | 4942-47-6 |
| EINECS | 225-585-1 |
| InChI | InChI=1/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)/p-1 |
| InChIKey | AOTQGWFNFTVXNQ-UHFFFAOYSA-N |
a-(1-Adamantyl)acetic acid - Physico-chemical Properties
| Molecular Formula | C12H18O2 |
| Molar Mass | 194.27 |
| Density | 1.0086 (rough estimate) |
| Melting Point | 134-137 °C (lit.) |
| Boling Point | 270.73°C (rough estimate) |
| Flash Point | 163°C |
| Solubility | Solubility in Methanol - almost transparency |
| Vapor Presure | 7.23E-05mmHg at 25°C |
| Appearance | Crystalline Powder or Crystals |
| Color | White to off-white |
| BRN | 641412 |
| pKa | 5.00±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4949 (estimate) |
| MDL | MFCD00074728 |
a-(1-Adamantyl)acetic acid - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R15 - Contact with water liberates extremely flammable gases R10 - Flammable |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S43 - In case of fire use ... (there follows the type of fire-fighting equipment to be used.) S7/8 - |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29162090 |
| Hazard Class | IRRITANT |
a-(1-Adamantyl)acetic acid - Reference Information
Open Data Unverified Data
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Uses | 1-adamantane acetic acid is used as an acylating agent to determine the pharmacological characteristics of 10 new analogs of bradykinin (Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg), which are The N-terminal part of the molecule is modified. |
Last Update：2024-04-12 11:28:07
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