Citrinin | CAS No. 518-75-2

Citrinin

Basic Information

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CAS Number

518-75-2

Molecular Formula

C13H14O5

Molecular Weight

250.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Basic Physical Properties

Melting Point

178-179 ºC (dec.)

Boiling Point

313.38°C (rough estimate)

Flash Point

2℃

Solubility

Slightly soluble in water. Soluble in dilute alkaline solutions. Soluble in methanol, ethanol, acetonitrile

Refractive Index

1.4560 (estimate)

Specific Rotation

D18 -37.4° (c = 1.15 in alc.)

SMILES

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CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C

InChI

InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1

InChIKey

CBGDIJWINPWWJW-IYSWYEEDSA-N

LogP

log Kow = 0.45 /Estimated/

Complexity

536

Safety Information

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GHS Hazard Pictograms

H301

H311

H331

H351

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H331 Toxic if inhaled
Acute toxicity, inhalation

H351 Suspected of causing cancer
Carcinogenicity

Hazard Class

Class 6.1(a) Class 6.1(a)

Toxicity

LD50 in mice, rats (mg/kg): 35, 67 i.p. (Ambrose, De Eds)

Synonyms & References

English

1ST7220
DTXSID8020333
SDCCGMLS-0066537.P001
HMS502A08
CCG-39048
NSC186
Spectrum2_000734
Spectrum4_001804
Spectrum_000451
(3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-3,4-dihydroisochromene-7-carboxylic acid
IDI1_000646
Citrinin, from Penicillium citrinum, >=98% (HPLC)
SR-05000002496
5-18-09-00061 (Beilstein Handbook Reference)
NCGC00160164-02
SPECTRUM210186
NCI60_001544
NINDS_000646
CITRININ [HSDB]
SCHEMBL157775
(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid
NCGC00160164-03
SPBio_000688
SR-05000002496-1
(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-4,8-dihydro-3H-2-benzopyran-7-carboxylic acid
BRN 0088597
8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid #
EINECS 208-257-2
CQIUKKVOEOPUDV-IYSWYEEDSA-N
KBioGR_002411
Citrinin solution in Acetonitrile, 100ug/mL

MDL Number

MFCD00006912

FAQ

What is Citrinin (CAS: 518-75-2)?

Citrinin is a mycotoxin produced by certain species of fungi, primarily Fusarium. It is characterized by its chemical formula C15H14O5 and has a yellow to orange color. Citrinin is known for its nephrotoxic and cytotoxic properties.

What are the main uses of Citrinin (CAS: 518-75-2)?

Citrinin is primarily used as an indicator of fungal contamination in food products. It is also studied in toxicology for its effects on kidney function and as a model compound for nephrotoxicity research.

Is Citrinin (CAS: 518-75-2) safe?

Citrinin is generally not considered safe for human consumption. It is regulated in many countries due to its potential to cause kidney damage. Adequate safety measures and monitoring are necessary to prevent its presence in food and feed.

How should Citrinin (CAS: 518-75-2) be stored?

Citrinin should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly sealed container to prevent degradation. The storage temperature should not exceed 25°C to ensure stability and safety.