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Reference substances

Reference substances

Currently viewing:
IUPAC name:
5,10,15,25-tetrakis(hydroxymethyl)-40,44,47,49-tetrakis(2-hydroxypropoxy)-20,30,35-tris[(2-hydroxypropoxy)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹.2²³,²⁶.2²⁸,³¹]nonatetracontane-36,37,38,39,41,42,43,45,46,48-decol

Inventory

EC number:
420-920-1
EC name:
-
CAS number:
-
Description:
C*CAVITRON 82006; CAVAMAX W7 HP; CAVASOL W7 HP; CD-B; KLEPTOSE HP; TN-9502
CAS number:
128446-35-5
Synonyms
Names:
2-HYDROXYPROPYLCYCLOHEPTAAMYLOSE
BETA W7 HP
BETA W7 HP 0,75
HYDROXYPROPYL-BETA-CYCLODEXTRIN
Identifier:
other: Molecular formula
C63H112O42
Identifier:
other: Molecular formula
C63H112O42
Identifier:
other: SMILES notation
CC(O)COCC1OC2OC3C(CO)OC(OC4C(COCC(C)O)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(COCC(C)O)OC(OC1C(O)C2O)C(O)C8O)C(OCC(C)O)C7O)C(OCC(C)O)C6O)C(O)C5OCC(C)O)C(O)C4O)C(O)C3OCC(C)O
Identifier:
other: SMILES notation
CC(O)COCC1OC2OC3C(CO)OC(OC4C(COCC(C)O)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(COCC(C)O)OC(OC1C(O)C2O)C(O)C8O)C(OCC(C)O)C7O)C(OCC(C)O)C6O)C(O)C5OCC(C)O)C(O)C4O)C(O)C3OCC(C)O
Identifier:
other: InChl
InChI=1/C63H112O42/c1-22(68)12-85-19-33-48-36(75)40(79)58(97-33)105-52-32(11-67)93-61(45(84)54(52)89-16-26(5)72)101-49-34(20-86-13-23(2)69)98-59(41(80)37(49)76)104-51-31(10-66)92-60(44(83)53(51)88-15-25(4)71)99-46-29(8-64)94-62(55(42(46)81)90-17-27(6)73)102-47-30(9-65)95-63(56(43(47)82)91-18-28(7)74)103-50-35(21-87-14-24(3)70)96-57(100-48)39(78)38(50)77/h22-84H,8-21H2,1-7H3
Identifier:
other: InChl
InChI=1/C63H112O42/c1-22(68)12-85-19-33-48-36(75)40(79)58(97-33)105-52-32(11-67)93-61(45(84)54(52)89-16-26(5)72)101-49-34(20-86-13-23(2)69)98-59(41(80)37(49)76)104-51-31(10-66)92-60(44(83)53(51)88-15-25(4)71)99-46-29(8-64)94-62(55(42(46)81)90-17-27(6)73)102-47-30(9-65)95-63(56(43(47)82)91-18-28(7)74)103-50-35(21-87-14-24(3)70)96-57(100-48)39(78)38(50)77/h22-84H,8-21H2,1-7H3
2-Hydroxypropyl-.beta.-cyclodextrine ethers

Molecular and structural information

Molecular formula:
Hill formula: (C42H70-nO35)(C3H7O)n; n(mittel)=5,25
Molecular weight:
ca. 1 440
SMILES notation:
CC(COCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)O)O)O
InChl:
InChI=1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/t22?,23?,24?,25?,26?,27?,28?,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
Structural formula:
Chemical structure

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