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22580

Sigma-Aldrich

D-(−)-Quinic acid

purum, ≥98.0% (T)

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About This Item

Empirical Formula (Hill Notation):
C7H12O6
CAS Number:
77-95-2
Molecular Weight:
192.17
Beilstein/REAXYS Number:
2212412
EC Number:
201-072-8
MDL number:
MFCD00003864
UNSPSC Code:
51113400
PubChem Substance ID:
329752326

grade

purum

assay

≥98.0% (T)

form

powder

optical activity

[α]20/D −44±1°, c = 20% in H2O

ign. residue

≤0.1%

mp

165-170 °C

SMILES string

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

InChI

1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1

InChI key

AAWZDTNXLSGCEK-WYWMIBKRSA-N

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Other Notes

Use as chiral building block[1][2]; and references cited therein.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

Hazard Classifications

Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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D.F. McComsey et al.
The Journal of Organic Chemistry, 59, 2652-2652 (1994)
B.M. Trost et al.
The Journal of Organic Chemistry, 51, 2332-2332 (1986)
Yong-Jin Yang et al.
Food chemistry, 138(2-3), 2057-2063 (2013-02-16)
Five new quinic acid derivatives and two known 3-O-feruloylquinic acids were isolated from the roots of Scorzonera divaricata Turcz. The new compounds were elucidated as (-)-1,4-di-O-feruloyl-3-O-dihydrocaffeoylquinic acid, (-)-1-O-feruloyl-4-O- dihydrocaffeoylquinic acid, (-)-3,5-di-O-feruloylquinic acid, (-)-1-O-feruloyl-3-O-dihydro- caffeoylquinic acid, and (-)-1-O-feruloyl-5-O-dihydrocaffeoylquinic acid based on
Rakesh Jaiswal et al.
Journal of mass spectrometry : JMS, 47(4), 502-515 (2012-06-13)
The proanthocyanidins of the leaves of 16 taxa of the Rhododendron genus (Ericaceae) [Rhododendron 'Catawbiense Grandiflorum', Rhododendron 'Cunningham's White', Rhododendron smirnowii Trautv., Rhododendron calophytum Franch., Rhododendron dichroanthum ssp. scyphocalyx (Balf. f. & Forrest ) Cowan, Rhododendron micranthum Turcz., Rhododendron praevernum
Yuan-Yuan Xie et al.
Journal of agricultural and food chemistry, 60(51), 12574-12583 (2012-12-12)
A multicomponent quantification fingerprint based on HPLC coupled with diode array detection and electrospray ionization tandem mass spectrometry (HPLC-DAD-ESI/MS) technique has been established for the analysis of phenolic compounds in 12 samples originated from 5 different cultivars of Chrysanthemum morifolium
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