Absinthin | CAS No. 1362-42-1

Absinthin

Basic Information

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CAS Number

1362-42-1

Molecular Formula

C30H40O6

Molecular Weight

496.64 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

165-166 ºC (dec.)

Boiling Point

700.6°C at 760 mmHg

Flash Point

230.8°C

Solubility

Insuluble (1.8E-3 g/L) (25 ºC),

Refractive Index

1.606

Specific Rotation

D20 +107.0° (c = 1.9 in CHCl3); D20 +103.5° (c = 1.0 in CHCl3)

SMILES

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C[C@H]1[C@@H]2CC[C@]([C@@H]3[C@H]4[C@H]5C=C([C@@]6([C@H]4C(=C3[C@H]2OC1=O)C)[C@@H]5[C@@](CC[C@@H]7[C@@H]6OC(=O)[C@H]7C)(C)O)C)(C)O

InChI

InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1

InChIKey

PZHWYURJZAPXAN-ILOFNVQHSA-N

LogP

3.8024000000000036

Topological Polar Surface Area

93.06 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

1140

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

Synonyms & References

English

Absinthin
ABSINTHII TINCTURA
Absinthiin
5'',4'':6',7']dicyclohepta[1,2-b:1',2'-b']difuran-2,12(11H)-dione,3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-hexadecahydro-6,8-dihydroxy-3,6,8,11,14,15-hexamethyl-,(3S,3aS,6S,6aR,6bS,7S,7aR,8S,10aS,11S,13aS,13bR,13cR,14bS)-
ABSYNTHIN
Absynthine
Sbsinthin
5'',4'':6',7']dicyclohepta[1,2-b:1',2'-b']difuran-2,12(11H)-dione,3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-hexadecahydro-6,8-dihydroxy-3,6,8,11,14,15-hexamethyl-,(3S,3aS,6S,6aR,6bS,7S,7aR,8S,10aS,11S,13aS,13bR,13cR
2H-7,13b-Ethenopentaleno[1'',2'':6,7
Absinthin, 95%, from Artemisia absinthium L.

MDL Number

MFCD00272148

FAQ

What is Absinthin (CAS: 1362-42-1)?

Absinthin (CAS: 1362-42-1) is a yellow to orange-yellow crystalline compound found in wormwood, particularly in high concentrations in the species Artemisia absinthium. It is a key component of absinthe, a historically popular alcoholic beverage. Absinthin has a bitter taste and is used in various applications including flavoring and as a natural colorant.

What are the main uses of Absinthin (CAS: 1362-42-1)?

Absinthin (CAS: 1362-42-1) is primarily used as a flavoring agent in food and beverages, particularly in the production of absinthe and other herbal liqueurs. It is also used in the manufacturing of food coloring and as a natural bitterness agent in some pharmaceuticals and herbal remedies.

Is Absinthin (CAS: 1362-42-1) safe?

Absinthin (CAS: 1362-42-1) is generally considered safe when used as a flavoring agent in food and beverages, as long as it is used in accordance with regulatory requirements. However, excessive consumption of absinthe, which contains high levels of absinthin, can lead to adverse effects such as hallucinations, seizures, and liver damage. Proper handling and storage are necessary to ensure safety.

How should Absinthin (CAS: 1362-42-1) be stored?

Absinthin (CAS: 1362-42-1) should be stored in a cool, dry place, preferably in a sealed, amber-colored container to protect it from light. It should be kept away from heat sources and should not be stored in temperatures above 30°C (86°F) to prevent degradation. Proper storage helps maintain its stability and effectiveness in applications.