3-(Allylsulfinyl)-D-alanine

Basic Information

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CAS Number

17795-26-5

Molecular Formula

C6H11NO3S

Molecular Weight

177.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Boiling Point

416.1±45.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

205.5±28.7 °C

Vapor Pressure

0.0±2.1 mmHg at 25°C

SMILES

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C=CCS(=O)CC(C(=O)O)N

InChI

InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m1/s1

InChIKey

XUHLIQGRKRUKPH-ITDPFOOWSA-N

LogP

-0.6669999999999991

Topological Polar Surface Area

80.39 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Safety Information

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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

Synonyms & References

English

alliin
3-(allylsulphinyl)-L-alanine
(±)-Alliin
Alliin (Mixture of DiastereoMers)
L-(±)-ALLIIN
3-[(S)-prop-2-en-1-ylsulfinyl]-L-alanine
3-(2-Propenylsulfinyl)-L-alanine
S-Allyl-L-cysteine sulfoxide
L-Alliin
ACSO
SAC
rac-Alliin
Einecs 241-773-6
L-Alanine, 3-(2-propenylsulfinyl)-
(±)-L-Alliin
(+/-)-L-ALLIIN, >=90% (HPLC)

MDL Number

MFCD01311056

FAQ

What regulatory guidelines apply to 3-(Allylsulfinyl)-D-alanine (CAS: 17795-26-5)?

3-(Allylsulfinyl)-D-alanine (CAS: 17795-26-5) is subject to various regulatory guidelines, including GHS classification for hazardous chemicals, REACH regulations for EU market access, and FDA/EPA guidelines for safety and environmental protection. It is classified as a potentially hazardous substance and must comply with specific handling, storage, and disposal regulations.

Are there alternatives to 3-(Allylsulfinyl)-D-alanine in synthesis?

Alternatives to 3-(Allylsulfinyl)-D-alanine include other amino acid derivatives with similar functional groups, such as cysteine or methionine. Common alternative reagents in synthesis include thiosulfuric acid or its derivatives, which can provide similar reactivity and functional groups for various chemical transformations.

What is the market or research trend for 3-(Allylsulfinyl)-D-alanine (CAS: 17795-26-5)?

The market for 3-(Allylsulfinyl)-D-alanine (CAS: 17795-26-5) is growing with increasing research interest in its potential applications in pharmaceuticals, particularly as a precursor for biologically active compounds. Research trends include the development of new synthetic routes and the exploration of its use in targeted drug delivery systems.

How should waste containing 3-(Allylsulfinyl)-D-alanine (CAS: 17795-26-5) be handled?

Waste containing 3-(Allylsulfinyl)-D-alanine (CAS: 17795-26-5) should be collected and stored in appropriate containers, ensuring proper labeling. It is recommended to handle waste through professional waste disposal services that comply with local regulations. Environmental precautions include minimizing exposure and ensuring safe transport to designated facilities for incineration or other disposal methods.