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42553-65-1

42553-65-1 structural image
Product Name: Crocin
Formula: C44H64O24
Synonyms: Crocetin digentiobiose ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Solid /Di-gentiobiose ester/
Melting Point 186 °C (effervescence) /Di-gentiobiose ester/
Solubility Freely soluble in hot water, giving an orange-colored solution /Di-gentiobiose ester/
Stability/Shelf Life The kinetics of crocin and picrocrocin in whole and ground samples of saffron stored at different temperatures and relative humidities were studied. First-order kinetics were observed for crocin and second-order for picrocrocin. There was no deterioration of the samples stored at -17 °C or at 0 °C, the ideal storage conditions. A reduction in the relative humidity had a greater effect on stability than a decrease in temperature. Conditions that favor stability for picrocrocin also favor the stability of its aroma.

SAFETY INFORMATION

Signal word Warning
Pictogram(s)
GHS07
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 977.0 g/mol
XLogP3 -2.5
Hydrogen Bond Donor Count 14
Hydrogen Bond Acceptor Count 24
Rotatable Bond Count 20
Exact Mass 976.37875290 g/mol
Monoisotopic Mass 976.37875290 g/mol
Topological Polar Surface Area 391 Ų
Heavy Atom Count 68
Formal Charge 0
Complexity 1730
Isotope Atom Count 0
Defined Atom Stereocenter Count 20
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 7
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Crocin-1 is a diester that is crocetin in which both of the carboxy groups have been converted to their gentiobiosyl esters. It is one of the water-soluble yellow-red pigments of saffron and is used as a spice for flavouring and colouring food. Note that in India, the term 'Crocin' is also used by GlaxoSmithKline as a brand-name for paracetamol. It has a role as an antioxidant, a food colouring, a plant metabolite and a histological dye. It is a diester, a disaccharide derivative and a diterpenoid. It is functionally related to a beta-D-gentiobiosyl crocetin and a gentiobiose.