quercimeritrin, 491-50-9

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CODE158910 CODE158910
Product(s):
491-50-9 Quercetin-7-O-β-D-glucopyranoside >98%

Name:	2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CAS Number:	491-50-9	3D/inchi
FDA UNII:	177033M1DL
Nikkaji Web:	J53.033F
MDL:	MFCD01762823
XlogP3-AA:	0.40 (est)
Molecular Weight:	464.38080000
Formula:	C21 H20 O12
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:	94.00 to 100.00
Food Chemicals Codex Listed:	No
Melting Point:	247.00 to 248.00 °C. @ 760.00 mm Hg
Boiling Point:	859.00 to 860.00 °C. @ 760.00 mm Hg
Flash Point:	577.00 °F. TCC ( 302.78 °C. )
logP (o/w):	-0.367 (est)
Soluble in:
	water, 1.305e+004 mg/L @ 25 °C (est)

Organoleptic Properties:

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

Cosmetic Information:

None found

Suppliers:

Alfa Biotechnology

For experimental / research use only.

Quercetin-7-O-glucoside 98%

BOC Sciences

For experimental / research use only.

Quercetin-7-O-β-D-glucopyranoside >98%

Carbosynth

For experimental / research use only.

Quercetin-7-O-b-D-glucopyranoside

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:
intraperitoneal-mouse LD50 > 5000 mg/kg Pharmaceutical Chemistry Journal Vol. 19, Pg. 326, 1985.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

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

Recommendation for quercimeritrin 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 :5282160

National Institute of Allergy and Infectious Diseases:Data

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

Chemidplus:0000491509

References:

	2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	5282160
Pubchem (sid):	135052135

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
CHEMBL:	View
KEGG (GenomeNet):	C12639
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB002523
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

	chamomile garden chamomile plant Search Trop Picture
	chamomile sweet false chamomile flower Search Trop Picture
	chamomile sweet false chamomile plant Search Trop Picture
	cotton flower Search Trop Picture
	dandelion flower Search Trop Picture
	gossypium spp. Search Trop Picture
	grape leaf Search Trop Picture
	okra flower Search Trop Picture
	pomegranate fruit Search Trop Picture
	sunflower pollen Search Trop Picture
	tea leaf Search Trop Picture

Synonyms:

	c.i. 75710
	ci 75710
3,5-	dihydroxy-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one
3,5-	dihydroxy-2-(3,4-dihydroxyphenyl)-7-(beta-dextro-glucopyranosyl oxy)-4H-1-benzopyran-4-one
2-(3,4-	dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2-(3,4-	dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-4H-1-benzopyran-4-one
2-(3,4-	dihydroxyphenyl)-7-(beta-dextro-glucopyranosyl oxy)-3,5-dihydroxy-4H-1-benzopyran-4-one
	quercimeritroside