S-ALLYL-L-CYSTEINE (CAS 21593-77-1) — formula C6H11NO2S, molecular weight 161.05 g/mol.
| CAS Number | 21593-77-1 |
|---|---|
| Molecular Formula | C6H11NO2S |
| Molecular Weight | 161.05 g/mol |
| LogP | -2.1 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
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).
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
The CAS registry number of S-ALLYL-L-CYSTEINE is 21593-77-1.
Molecular formula C6H11NO2S, molecular weight 161.05 g/mol.
It is also registered under: S-ALLYL-L-CYSTEINE, Allylcysteine.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Independent reference data for S-ALLYL-L-CYSTEINE (CAS 21593-77-1), compiled from public chemistry databases.
| 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 |
| 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 |
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
| 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 notification summary | 70.1% (89 / 127) |
|---|---|
| Reported hazard statements | H317 (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]
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.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: S-ALLYL-L-CYSTEINE