52587

Hexakis(2,3,6-tri-O-octyl)-α-cyclodextrin

purum, ≥97.0% (TLC)

• Synonym(s): 2,3,6-Tri-O-octyl-α-cyclodextrin
• Empirical Formula (Hill Notation): C₁₈₀H₃₄₈O₃₀
• CAS Number: 140395-31-9
• Molecular Weight: 2992.67
• Beilstein/REAXYS Number: 5470739
• MDL number: MFCD00216715
• UNSPSC Code: 12352005
• PubChem Substance ID: 329757857

Properties

• grade: purum
• assay: ≥97.0% (TLC)
• density: 1.14 g/mL at 20 °C (lit.)
• SMILES string: CCCCCCCCOC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCCCCCCCC)O[C@H](O[C@@H]4[C@@H](COCCCCCCCC)O[C@H](O[C@@H]5[C@@H](COCCCCCCCC)O[C@H](O[C@@H]6[C@@H](COCCCCCCCC)O[C@H](O[C@@H]7[C@@H](COCCCCCCCC)O[C@H](O[C@H]1[C@H](OCCCCCCCC)[C@H]2OCCCCCCCC)[C@H](OCCCCCCCC)[C@H]7OCCCCCCCC)[C@H](OCCCCCCCC)[C@H]6OCCCCCCCC)[C@H](OCCCCCCCC)[C@H]5OCCCCCCCC)[C@H](OCCCCCCCC)[C@H]4OCCCCCCCC)[C@H](OCCCCCCCC)[C@H]3OCCCCCCCC
• InChI: 1S/C180H348O30/c1-19-37-55-73-91-109-127-181-145-151-157-163(187-133-115-97-79-61-43-25-7)169(193-139-121-103-85-67-49-31-13)175(199-151)206-158-152(146-182-128-110-92-74-56-38-20-2)201-177(171(195-141-123-105-87-69-51-33-15)164(158)188-134-116-98-80-62-44-26-8)208-160-154(148-184-130-112-94-76-58-40-22-4)203-179(173(197-143-125-107-89-71-53-35-17)166(160)190-136-118-100-82-64-46-28-10)210-162-156(150-186-132-114-96-78-60-42-24-6)204-180(174(198-144-126-108-90-72-54-36-18)168(162)192-138-120-102-84-66-48-30-12)209-161-155(149-185-131-113-95-77-59-41-23-5)202-178(172(196-142-124-106-88-70-52-34-16)167(161)191-137-119-101-83-65-47-29-11)207-159-153(147-183-129-111-93-75-57-39-21-3)200-176(205-157)170(194-140-122-104-86-68-50-32-14)165(159)189-135-117-99-81-63-45-27-9/h151-180H,19-150H2,1-18H3/t151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163+,164+,165+,166+,167+,168+,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-/m1/s1
• InChI key: RMPVMBYXMRFORE-YHIDQUJYSA-N

Safety Information

• Storage Class: 12 - Non Combustible Liquids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves