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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)

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.