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EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes

mirtillin
flavylium, 3-(beta-D-glucopyranosyloxy)-3',4',5,5',7-pentahydroxy-, chloride (8CI)

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CODE169955 CODE169955
Product(s):
6906-38-3 Delphinidin 3-D-Glucoside

Name:	(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
CAS Number:	6906-38-3	3D/inchi
FDA UNII:	474A9U89JS
MDL:	MFCD01762899
Molecular Weight:	500.84077000
Formula:	C21 H21 Cl O12
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:pharmaceuticals / chemical synthisis

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
Flash Point:	32.00 °F. TCC ( 0.00 °C. ) (est)
Soluble in:
	water, 660.1 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.

delphinidin-3-glucoside 98%

For experimental / research use only.

Delphinidin 3-D-Glucoside

For experimental / research use only.

Myrtillin chloride (HPLC) ≥95%

Santa Cruz Biotechnology

For experimental / research use only.

Delphinidin 3-β-D-Glucoside ≥95%

For experimental / research use only.

Delphinidin 3-O-β-D-glucoside chloride

analytical standard

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-rat LD50 1850 mg/kg United States Patent Document. Vol. #4229439
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
pharmaceuticals / chemical synthisis
Recommendation for mirtillin usage levels up to:
	not for fragrance use.

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

Safety References:

EPI System: View

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :165558

National Institute of Allergy and Infectious Diseases:Data

(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

Chemidplus:0006906383

References:

	(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	165558
Pubchem (sid):	135120543

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):	C12138
HMDB (The Human Metabolome Database):	HMDB37997
FooDB:	FDB017191
YMDB (Yeast Metabolome Database):	YMDB01665
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

	bean adzuki bean seed Search Trop Picture
	bean black bean seed Search Trop Picture
	bean field bean Search Trop Picture
	bean mung bean seed Search Trop Picture
	bean scarlet runner bean Search Trop Picture
	bilberry fruit Search Trop Picture
	bilberry leaf Search Trop Picture
	blueberry fruit Search Trop Picture
	currant black currant Search Trop Picture
	currant black currant fruit Search Trop Picture
	currant red currant fruit Search Trop Picture
	flax flower Search Trop Picture
	grape fruit Search Trop Picture
	grape pericarp Search Trop Picture
	mango Search Trop Picture
	orange fruit Search Trop Picture
	pea flower Search Trop Picture
	pomegranate Search Trop Picture
	pomegranate fruit Search Trop Picture
	pomegranate fruit juice Search Trop Picture
	roselle calyx Search Trop Picture
	soybean Search Trop Picture
	soybean seed Search Trop Picture
	vaccinium spp. Search Trop Picture
	wine red wine Search Picture

Synonyms:

1-	benzopyrylium, 5,7-dihydroxy-3-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-, chloride
	delphinidin 3-glucoside
	delphinidin 3-monoglucoside
	delphinidin-3-glucoside chloride
	delphinidin-3-O-glucoside
(2S,3R,4S,5S,6R)-2-[5,7-	dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
	flavylium, 3-(beta-D-glucopyranosyloxy)-3',4',5,5',7-pentahydroxy-, chloride (8CI)
	myrtillin (6CI)
	myrtillin chloride
	myrtillin-a

Articles:

PubMed:Hemisynthesis and structural and chromatic characterization of delphinidin 3-O-glucoside-vescalagin hybrid pigments.

PubMed:Thermodynamic and kinetic properties of a new myrtillin-vescalagin hybrid pigment.

PubMed:Circular dichroism of anthocyanidin 3-glucoside self-aggregates.

PubMed:The effect of self-aggregation on the determination of the kinetic and thermodynamic constants of the network of chemical reactions in 3-glucoside anthocyanins.

PubMed:Interaction between gliadins and anthocyan derivatives.

PubMed:Effect of Vaccinium myrtillus and its polyphenols on angiotensin-converting enzyme activity in human endothelial cells.

PubMed:Ultrasound extracted flavonoids from four varieties of Portuguese red grape skins determined by reverse-phase high-performance liquid chromatography with electrochemical detection.

PubMed:[Clinical study of the action of myrtillin alone or associated with betacarotene on normal subjects and on patients with degenerative changes of the fundus oculi].

PubMed:[Perimetric and adaptometric modifications after ingestion of myrtillin associated with betacarotene].

PubMed:[Myrtillin in differentiation of deoxy- and ribonucleic acids; preliminary communication].

PubMed:ASSOCIATION OF AMERICAN PHYSICIANS: SENSIBILITY TO PAIN OF THE PERICARDIUM; STUDIES IN EXPERIMENTAL THROMBOSIS; MYRTILLIN A DIABETES REMEDY; REACTION OF CHRONIC NEPHROSIS TO THYROID AND PARATHYROID MEDICATION.

Notes:

Isol. from grapes and many other plant spp. Present in red wine

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