Crocetin | CAS No. 27876-94-4

Crocetin

Basic Information

View in Editor

CAS Number

27876-94-4

Molecular Formula

C20H24O4

Molecular Weight

328.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Red cryst.

Melting Point

285°

Boiling Point

585.1°C at 760 mmHg

Flash Point

321.7°C

Solubility

Methanol; DMF; Pyridine; Weak base water

Refractive Index

1.4434 (estimate)

SMILES

View in Editor

C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C

InChI

InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+

InChIKey

PANKHBYNKQNAHN-MQQNZMFNSA-N

LogP

4.6094000000000035

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

608

Safety Information

View Safety Information

Hazard Statement

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

Crocetin
8,8'-Diapocarotene-8,8'-dioic acid
carotenoid dicarboxylic acid
all-trans-8,8'-diapocarotene-8,8'-dioic acid
8,8'-Diapocarotenedioic acid
Natural yellow 6
trans-Crocetin
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
ALPHA-CROCETIN
croceicacid
CROCETIN, trans-(RG)
trans-Crocetine
Saffron
Transcrocetin
8,8'-Diapo-psi,psi-carotenedioic acid
CI 75100
20TC155L9C
8,8'-diapo-8,8'-carotenedioic acid
.alpha.-Crocetin
Transcrocetinate
Transcrocetin [INN]
alpha Crocetin
Crocetin aglycon
NSC407300
α-Crocetin,trans-Crocetin,Stable crocetin,Transcrocetin

MDL Number

MFCD00017359

FAQ

What is Crocetin (CAS: 27876-94-4)?

Crocetin is a naturally occurring carotenoid compound with the chemical formula C40H52O2. It is known for its bright orange color and is commonly found in saffron. Crocetin exhibits antioxidant and anti-inflammatory properties.

What are the main uses of Crocetin (CAS: 27876-94-4)?

Crocetin is primarily used in the pharmaceutical and food industries. In pharmaceuticals, it acts as an antioxidant and anti-inflammatory agent. In the food industry, it serves as a natural colorant. Additionally, researchers investigate its potential in cancer therapy and other health applications.

Is Crocetin (CAS: 27876-94-4) safe?

Crocetin is considered safe for its intended uses. However, it is important to follow proper handling procedures. Exposure to light and air can cause degradation, and direct skin contact or ingestion in high quantities might cause irritation. Safety data sheets (SDS) should be consulted for detailed handling and safety information.

How should Crocetin (CAS: 27876-94-4) be stored?

Crocetin should be stored in a cool, dark place to prevent degradation. Keep it in a tightly sealed container to avoid exposure to light and air. Store at room temperature (15-25°C) and below 65% relative humidity to maintain stability. Avoid direct sunlight and high temperatures, as these can affect its properties.