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342289

Sigma-Aldrich

cis,cis-1,3,5-Trimethylcyclohexane-1,3,5-tricarboxylic acid

99%

Synonym(s):

Kemp’s triacid

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About This Item

Empirical Formula (Hill Notation):
C12H18O6
CAS Number:
79410-20-1
Molecular Weight:
258.27
Beilstein:
3557263
MDL number:
MFCD01545994
UNSPSC Code:
12162002
PubChem Substance ID:
24861047
NACRES:
NA.23

Assay

99%

mp

241-243 °C (lit.)

SMILES string

C[C@@]1(C[C@](C)(C[C@](C)(C1)C(O)=O)C(O)=O)C(O)=O

InChI

1S/C12H18O6/c1-10(7(13)14)4-11(2,8(15)16)6-12(3,5-10)9(17)18/h4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/t10-,11+,12-

InChI key

AZWHPGZNOIYGFB-ZSBIGDGJSA-N

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Application

Versatile molecule for molecular recognition studies. Also used to prepare a chiral auxiliary for asymmetric radical addition, allylation, and annulation reactions.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
08725HJ
00512HJ
03410BW
16805AE
00108HD

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Journal of the American Chemical Society, 114, 1919-1919 (1992)
J. Chem. Soc. Perkin Trans. II, 569-569 (1994)
Journal of the American Chemical Society, 114, 7707-7707 (1992)

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