Allylcysteine

Description

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.

Identification

CAS Registry Number	21593-77-1
PubChem CID	9793905
Molecular formula	C6H11NO2S
Molecular weight	161.05 g/mol
IUPAC name	(2R)-2-amino-3-prop-2-enylsulfanylpropanoic acid
InChIKey	ZFAHNWWNDFHPOH-YFKPBYRVSA-N
UNII (FDA)	81R3X99M15
ChEBI ID	CHEBI:133648
FEMA number	4322
JECFA number	1710

Computed Descriptors

Molecular Weight	161.22
XLogP3	-2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	161.05104977
Monoisotopic Mass	161.05104977
Topological Polar Surface Area	88.6
Heavy Atom Count	10
Formal Charge	0

Physical description & 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]

Regulatory Status

Regulatory & Food Contact	EU 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 summary	70.1% (89 / 127)

GHS Hazard Classification

GHS notification summary	70.1% (89 / 127)
Reported hazard statements	H317 (29.9%)

Documented Uses

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

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of S-ALLYL-L-CYSTEINE?

CAS 21593-77-1; molecular formula C6H11NO2S; molecular weight 161.05 g/mol.

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

S-allyl-L-cysteine, 21593-77-1, S-Allylcysteine, S-Allyl cysteine, L-Cysteine, S-2-propenyl-, (+)-S-ALLYLCYSTEINE.

What is the regulatory status of S-ALLYL-L-CYSTEINE?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is S-ALLYL-L-CYSTEINE classified as hazardous?

70.1% of GHS notifications report no hazard classification (89 of 127).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.