METHYL THIOACETATE (CAS 1534-08-3) — formula C3H6OS, molecular weight 90.15; category organic chemicals.
| CAS Number | 1534-08-3 |
|---|---|
| Molecular Formula | C3H6OS |
| Molecular Weight | 90.15 |
| Boiling Point | 95.00 to 96.00 °C. @ 760.00 mm Hg |
| LogP | 0.7 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
METHYL THIOACETATE is a carbon-based organic compound with CAS registry number 1534-08-3 and molecular formula C3H6OS (molecular weight 90.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1534-08-3
Its molecular formula C3H6OS comprises 3 C, 6 H, 1 O, 1 S atoms.
Also known as: METHYL THIOACETATE · 硫代乙酸甲酯
Category: organic chemicals
The CAS registry number of METHYL THIOACETATE is 1534-08-3.
Molecular formula C3H6OS, molecular weight 90.15.
It is also registered under: METHYL THIOACETATE, 硫代乙酸甲酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Category: Organic Chemicals.
Independent reference data for METHYL THIOACETATE (CAS 1534-08-3), compiled from public chemistry databases.
| CAS Registry Number | 1534-08-3 |
|---|---|
| PubChem CID | 73750 |
| Molecular formula | C3H6OS |
| IUPAC name | S-methyl ethanethioate |
| UNII (FDA) | PF2D4MWX79 |
| FEMA number | 3876 |
| JECFA number | 482 |
| Molecular Weight | 90.15 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 90.01393598 |
| Monoisotopic Mass | 90.01393598 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 5 |
| Boiling Point | 95.00 to 96.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 95-96 °C |
| Density | 0.817-0.825 |
| Refractive Index | 1.460-1.468 |
S-Methyl thioacetate; 1534-08-3; S-Methyl ethanethioate; Ethanethioic acid, S-methyl ester; Methylthioacetate; PF2D4MWX79; 1-(methylsulfanyl)ethan-1-one; DTXSID3073264; FEMA NO. 3876; CHEBI:51280; RefChem:884259; DTXCID8034956; DTXCID20285251; 216-252-1; DTXSID10334161; Methyl thioacetate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Cabbage, Cheese, Garlic, Sulfur No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.2% (3 / 1490) |
| GHS notification summary | 0.2% (3 / 1490) |
|---|---|
| Reported hazard statements | H225 (13.4%), H226 (86.4%), H311 (99.5%), H319 (99.5%), H331 (96.8%) |
This chemical does not meet GHS hazard criteria for 0.2% (3 of 1490) of reports.
H225 (13.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]
METHYL THIOACETATE · CAS 1534-08-3 · C3H6OS. UNII PF2D4MWX79. Boiling Point: 95.00 to 96.00 °C. @ 760.00 mm Hg; Boiling Point: 95-96 °C; Density: 0.817-0.825.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 硫代乙酸甲酯