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Home › Product Catalog › S-ALLYL-L-CYSTEINE

S-ALLYL-L-CYSTEINE

CAS 21593-77-1C6H11NO2SMW 161.05 g/mol

S-ALLYL-L-CYSTEINE (CAS 21593-77-1) — formula C6H11NO2S, molecular weight 161.05 g/mol.

Specifications

CAS Number21593-77-1
Molecular FormulaC6H11NO2S
Molecular Weight161.05 g/mol
LogP-2.1

Purchase Profile

What this product is

S-ALLYL-L-CYSTEINE is a chemical compound with CAS registry number 21593-77-1 and molecular formula C6H11NO2S (molecular weight 161.05 g/mol).

Identification

CAS number: 21593-77-1

Its molecular formula C6H11NO2S comprises 6 C, 11 H, 1 N, 2 O, 1 S atoms.

Also known as: S-ALLYL-L-CYSTEINE · Allylcysteine

Frequently Asked Questions

What is the CAS number of S-ALLYL-L-CYSTEINE?

The CAS registry number of S-ALLYL-L-CYSTEINE is 21593-77-1.

What is the molecular formula and molecular weight of S-ALLYL-L-CYSTEINE?

Molecular formula C6H11NO2S, molecular weight 161.05 g/mol.

What other names is S-ALLYL-L-CYSTEINE known by?

It is also registered under: S-ALLYL-L-CYSTEINE, Allylcysteine.

PubChem Public Data

Public-database records for S-ALLYL-L-CYSTEINE (CAS 21593-77-1), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary70.1% (89 / 127)
Reported hazard statementsH317 (29.9%)

This chemical does not meet GHS hazard criteria for 70.1% (89 of 127) of all reports.

H317 (29.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Savory
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary70.1% (89 / 127)

Physical description and handling notes

  • White powder; Cooked roasted brown aroma
  • Sparingly soluble in water
  • Slightly soluble (in ethanol)
  • 133.07 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
  • 132.03 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
  • 125.95 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

How this substance is indexed

CAS Registry Number21593-77-1
PubChem CID9793905
分子式C6H11NO2S
分子量161.05 g/mol
IUPAC 名称(2R)-2-amino-3-prop-2-enylsulfanylpropanoic acid
InChIKeyZFAHNWWNDFHPOH-YFKPBYRVSA-N
UNII(FDA)81R3X99M15
ChEBI 编号CHEBI:133648
FEMA 编号4322
JECFA 编号1710

Documented uses

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index
  • Substances that inhibit or prevent the proliferation of NEOPLASMS.

Names this substance appears under

S-allyl-L-cysteine; 21593-77-1; S-Allylcysteine; S-Allyl cysteine; L-Cysteine, S-2-propenyl-; (+)-S-ALLYLCYSTEINE; CHEBI:74077; 81R3X99M15; (2R)-2-amino-3-prop-2-enylsulfanylpropanoic acid; FEMA NO. 4322; DTXSID20894862; NSC-96449; (2R)-2-AMINO-3-(PROP-2-EN-1-YLSULFANYL) PROPANOIC ACID; NSC96449; RefChem:48874; DTXCID901324424

Computed molecular descriptors

分子量161.22
XLogP3-2.1
氢键供体数2
氢键受体数4
可旋转键数5
精确质量161.05104977
单同位素质量161.05104977
拓扑极性表面积88.6
重原子数10
形式电荷0

Database abstract

S-ALLYL-L-CYSTEINE is identified by CAS 21593-77-1, molecular formula C6H11NO2S and molecular weight 161.05 g/mol. UNII 81R3X99M15; ChEBI 133648; InChIKey ZFAHNWWNDFHPOH-YFKPBYRVSA-N.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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