cichoriin, 531-58-8

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CODE158863 CODE158863
Product(s):
531-58-8 Aesculetin-7-O-D-Glucopyranoside
Aesculetin-7-O-D-Glucopyranoside is isolated from chicory.

Name:	6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
CAS Number:	531-58-8	3D/inchi
FDA UNII:	5T3VO03BTR
Nikkaji Web:	J6.980I
XlogP3-AA:	-0.60 (est)
Molecular Weight:	340.28532000
Formula:	C15 H16 O9
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	697.70 °C. @ 760.00 mm Hg (est)
Flash Point:	505.00 °F. TCC ( 262.80 °C. ) (est)
logP (o/w):	-2.450 (est)
Soluble in:
	water, 2.06e+005 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

Aesculetin-7-O-D-Glucopyranoside

Odor: characteristic

Use: Aesculetin-7-O-D-Glucopyranoside is isolated from chicory.

Safety Information:


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for cichoriin usage levels up to:
	not for fragrance use.

Recommendation for cichoriin flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :442101

National Institute of Allergy and Infectious Diseases:Data

6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Chemidplus:0000531588

References:

	6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	442101
Pubchem (sid):	135227413

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
CHEBI:	View
KEGG (GenomeNet):	C09206
HMDB (The Human Metabolome Database):	HMDB30821
FooDB:	FDB002777
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

	chicory flower Search Trop Picture
	chicory leaf Search Trop Picture
	chicory plant Search Trop Picture
	chicory root Search Trop Picture

Synonyms:

2H-1-	benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-6-hydroxy-
	cichorioside
6,7-	dihydroxycoumarin-7-glucoside
7-(beta-D-	glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one
7-(beta-dextro-	glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one
6-	hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Articles:

PubMed:Introducing Cichorium Pumilum as a potential therapeutical agent against drug-induced benign breast tumor in rats.

PubMed:Complete NMR spectral assignments of two lactucin-type sesquiterpene lactone glycosides from Picris conyzoides.

PubMed:Terpene and phenolic constituents of Lactuca indica L.

PubMed:The first guaian-12-oic acid glucopyranosyl ester and other constituents from Picris rhagadioloides (L.) Desf. (Asteraceae).

PubMed:Furofuran lignans from a callus culture of Cichorium intybus.

PubMed:A new coumarin glucoside ester from Cichorium intybus.

PubMed:Glycosidic fraction of flue-cured tobacco leaves: its separation and component analysis.

PubMed:Flavonoids, cinnamic acids and coumarins from the different tissues and medicinal preparations of Taraxacum officinale.

Notes:

Isol. from chicory (Cichorium intybus)

cichoriin 7-(beta-D-glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one

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Articles:

cichoriin
7-(beta-D-glucopyranosyloxy)-6-hydroxy-2H-1-benzopyran-2-one