CROCIN | CAS No. 42553-65-1

CROCIN

Basic Information

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CAS Number

42553-65-1

Molecular Formula

C44H64O24

Molecular Weight

976.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

186° (effervescence)

Boiling Point

1174.7°C at 760 mmHg

Density

1.4800

Solubility

Freely soluble in hot water, giving an orange-colored solution /Di-gentiobiose ester/

SMILES

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OC[C@H]1O[C@@H](OC[C@H]2OC(OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)\C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI

InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44?/m1/s1

InChIKey

SEBIKDIMAPSUBY-JVRKWAACSA-N

LogP

-5.225199999999981

Topological Polar Surface Area

391.20000000000005 Å²

Hydrogen Bond Donor/Acceptor

14 / 24

Complexity

1730

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Synonyms & References

English

Crocin
BETA-D-GLUCOPYRANOSE, 6-O-BETA-D-GLUCOPYRANOSYL-, 1,1'-[(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-TETRAMETHYL-2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOATE]
B-D-GLUCOPYRANOSE, 6-O-BETA-D-GLUCOPYRANOSYL-, 1,1'-[(ALL-E)-2,6,11,15-TETRAMETHYL-2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOATE]
GARDENIN
CROCETIN BIS(GENTIOBIOSYL) ESTER
CROCETIN DIGENTIOBIOSYL ESTER
CROCIN GARDENIA FRUIT EXTRACT
ALPHA-CROCIN
Crocin (Gardenia Fruits Extract)
Crocin I
CROCIN(AS)
CROCIN(RG)
Crocetin digentiobiose ester
Crocetin Digentiobiosyl Ester (Gardenia Fruits Extract)
α-Crocin
Crocetin digentibiose ester
Gardenia Yellow
Crocin 1
Crocine
crocin-1
all-trans-Crocetin di-beta-D-gentiobiosyl ester
877GWI46C2
Crocin-I
Crocin A
Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-psi,psi-carotenedioate
Saffron
crocetin di-gentiobiose ester
beta-D-Glucopyranose, 6-O-beta-D-glu
Crocin,Crocin 4,Crocin A,α-Crocin,Crocetin digentiobioside,Crocin 1

MDL Number

MFCD11044877

FAQ

What is CROCIN (CAS: 42553-65-1)?

CROCIN is a naturally occurring carotenoid pigment derived from the crocus flower, specifically Crocus sativus. It has the chemical formula C44H68O19 and is known for its vibrant red color and antioxidant properties. CROCIN is widely used in food, pharmaceutical, and cosmetic industries due to its stability and beneficial effects.

What are the main uses of CROCIN (CAS: 42553-65-1)?

CROCIN is primarily used as a natural food coloring agent in products like confectionery, beverages, and dairy items. It also finds applications in pharmaceuticals for its antioxidant and anti-inflammatory properties, and in cosmetics as a colorant and skin protectant. Additionally, it is used in research for studying its biological activities and potential health benefits.

Is CROCIN (CAS: 42553-65-1) safe?

CROCIN is generally considered safe for use in food, cosmetics, and pharmaceuticals when used within recommended limits. It is non-toxic and has a good safety profile. However, proper handling and protective measures should be taken during production to avoid skin or eye irritation. Safety standards are in place to ensure its appropriate application in various industries.

How should CROCIN (CAS: 42553-65-1) be stored?

CROCIN should be stored in a cool, dry, and dark place to maintain its stability and color. It is best kept at temperatures below 25°C and humidity levels below 60%. Avoid exposure to light and air to prevent degradation. It should be stored in airtight, light-resistant containers to ensure long-term quality and safety.