| Identification | More | [Name]
1,3-Adamantanediacetic acid | [CAS]
17768-28-4 | [Synonyms]
1,3-ADAMANTANEDIACETIC ACID
1,3-BIS(CARBOXYMETHYL)ADAMANTANE
2-[3-(carboxymethyl)-1-adamantyl]acetic acid
[3-(CARBOXYMETHYL)-1-ADAMANTYL]ACETIC ACID
AKOS BC-0491
IFLAB-BB F0020-1575
TIMTEC-BB SBB000916
tricyclo[3.3.1.13,7]dec-1,3-diyldi(acetic acid)
adamantane-1,3-diacetic acid
(3-Carboxymethyl-adamantan-1-yl)-acetic acid | [EINECS(EC#)]
241-751-6 | [Molecular Formula]
C14H20O4 | [MDL Number]
MFCD00191708 | [Molecular Weight]
252.31 | [MOL File]
17768-28-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
234-237 °C (lit.) | [Boiling point ]
453.9±18.0 °C(Predicted) | [density ]
1.304±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
very faint turbidity in hot Methanol | [form ]
powder to crystal | [pka]
4.42±0.10(Predicted) | [color ]
White to Light yellow | [InChI]
InChI=1S/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18) | [InChIKey]
UTENGZNBNPABQE-UHFFFAOYSA-N | [SMILES]
C12(CC(O)=O)CC3CC(CC(CC(O)=O)(C3)C1)C2 | [CAS DataBase Reference]
17768-28-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29172090 | [Storage Class]
11 - Combustible Solids |
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