1-Adamantaneacetic acid , 98% , 4942-47-6

Synonym(s):
1-Adamantylacetic acid

CAS NO.：4942-47-6

Empirical Formula: C12H18O2

Molecular Weight: 194.27

MDL number: MFCD00074728

EINECS: 225-585-1

PRODUCT Properties

• 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
• pka: 5.00±0.10(Predicted)
• form: Crystalline Powder or Crystals
• color: White to off-white
• BRN: 641412
• InChI: InChI=1S/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)
• InChIKey: AOTQGWFNFTVXNQ-UHFFFAOYSA-N
• SMILES: C12(CC(O)=O)CC3CC(CC(C3)C1)C2
• CAS DataBase Reference: 4942-47-6(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Adamantaneacetic acid(4942-47-6)

Description and Uses

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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• Hazard Codes: Xi,Xn,F
• Risk Statements: 36/37/38-15-10
• Safety Statements: 22-24/25-43-7/8
• WGK Germany: 3
• TSCA: Yes
• HazardClass: IRRITANT
• HS Code: 29162090