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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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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

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