Methylthio 2-(propionyloxy) propionate (CAS 827024-53-3) — formula C7H12O3S, molecular weight 176.05 g/mol.
| CAS Number | 827024-53-3 |
|---|---|
| Molecular Formula | C7H12O3S |
| Molecular Weight | 176.05 g/mol |
| Boiling Point | 76 °C (4.5 mm Hg) |
| LogP | 1.4 |
Methylthio 2-(propionyloxy) propionate is a chemical compound with CAS registry number 827024-53-3 and molecular formula C7H12O3S (molecular weight 176.05 g/mol).
CAS number: 827024-53-3
Its molecular formula C7H12O3S comprises 7 C, 12 H, 3 O, 1 S atoms.
Also known as: Methylthio 2-(propionyloxy) propionate · 甲硫基2-(丙酰氧基)丙酸酯
The CAS registry number of Methylthio 2-(propionyloxy) propionate is 827024-53-3.
Molecular formula C7H12O3S, molecular weight 176.05 g/mol.
It is also registered under: Methylthio 2-(propionyloxy) propionate, 甲硫基2-(丙酰氧基)丙酸酯.
Independent reference data for Methylthio 2-(propionyloxy) propionate (CAS 827024-53-3), compiled from public chemistry databases.
| CAS Registry Number | 827024-53-3 |
|---|---|
| PubChem CID | 20831779 |
| Molecular formula | C7H12O3S |
| Molecular weight | 176.05 g/mol |
| IUPAC name | (1-methylsulfanyl-1-oxopropan-2-yl) propanoate |
| InChIKey | VCLWCQBHEOFVMO-UHFFFAOYSA-N |
| UNII (FDA) | 0VG9JPO6J5 |
| ChEBI ID | CHEBI:173480 |
| JECFA number | 493 |
| Molecular Weight | 176.24 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 176.05071541 |
| Monoisotopic Mass | 176.05071541 |
| Topological Polar Surface Area | 68.7 |
| Heavy Atom Count | 11 |
| Boiling Point | 76 °C (4.5 mm Hg) |
|---|---|
| Density | 1.096-1.100 (20 °C) |
| Refractive Index | 1.464-1.474 |
FEMA No. 3790; Methylthio 2-(propionyloxy) propionate; Propionyllactic acid thiomethyl ester; Methyl thiopropionyl oxypropionate; 0VG9JPO6J5; 827024-53-3; S-Methyl 2-(propionyloxy)propanethioate; Propanethioic acid, 2-(1-oxopropoxy)-, S-methyl ester; Methylthio 2-(propionyloxy) propionate [FHFI]; RefChem:818710; UNII-0VG9JPO6J5; Methylthio 2-(propanoyloxy)propanoate; SCHEMBL28578717; FEMA 3790; CHEBI:173480; S-Methyl-2-(propionyloxy)propanethioate
| Regulatory & Food Contact | FLAVOURING_AGENT: Flavouring Agent Flavoring Agents No safety concern at current levels of intake when used as a flavouring agent TRS 896-JECFA 53/32 FAS 44-JECFA 53/125 |
|---|
Methylthio 2-(propionyloxy) propionate is identified by CAS 827024-53-3, molecular formula C7H12O3S and molecular weight 176.05 g/mol. UNII 0VG9JPO6J5; ChEBI 173480; InChIKey VCLWCQBHEOFVMO-UHFFFAOYSA-N. Boiling Point: 76 °C (4.5 mm Hg); Density: 1.096-1.100 (20 °C); Refractive Index: 1.464-1.474.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 甲硫基2-(丙酰氧基)丙酸酯