3-methylthiohexyl acetate (CAS 51755-85-2) — formula C9H18O2S, molecular weight 190.31; category organic chemicals.
| CAS Number | 51755-85-2 |
|---|---|
| Molecular Formula | C9H18O2S |
| Molecular Weight | 190.31 |
| Boiling Point | 75 °C (5 mm Hg) |
| LogP | 2.4 |
| Category | Organic Chemicals |
3-methylthiohexyl acetate is a carbon-based organic compound with CAS registry number 51755-85-2 and molecular formula C9H18O2S (molecular weight 190.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 51755-85-2
Its molecular formula C9H18O2S comprises 9 C, 18 H, 2 O, 1 S atoms.
Also known as: 3-methylthiohexyl acetate · 乙酸3-甲硫基己酯 · 3-(Methylthio)-1-hexyl acetate
Category: organic chemicals
The CAS registry number of 3-methylthiohexyl acetate is 51755-85-2.
Molecular formula C9H18O2S, molecular weight 190.31.
It is also registered under: 3-methylthiohexyl acetate, 乙酸3-甲硫基己酯, 3-(Methylthio)-1-hexyl acetate.
Category: Organic Chemicals.
Independent reference data for 3-methylthiohexyl acetate (CAS 51755-85-2), compiled from public chemistry databases.
| CAS Registry Number | 51755-85-2 |
|---|---|
| PubChem CID | 62013 |
| Molecular formula | C9H18O2S |
| IUPAC name | 3-methylsulfanylhexyl acetate |
| UNII (FDA) | 0GEW9KKA0D |
| FEMA number | 3789 |
| JECFA number | 481 |
| Molecular Weight | 190.31 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 190.10275099 |
| Monoisotopic Mass | 190.10275099 |
| Topological Polar Surface Area | 51.6 |
| Heavy Atom Count | 12 |
| Boiling Point | 75 °C (5 mm Hg) |
|---|---|
| Density | 0.982-0.990 |
| Refractive Index | 1.461-1.469 |
3-(Methylthio)hexyl acetate; 51755-85-2; 3-(Methylthio)-1-hexyl acetate; FEMA No. 3789; 0GEW9KKA0D; 1-Hexanol, 3-(methylthio)-, acetate; 1-Hexanol, 3-(methylthio)-, 1-acetate; 3-(METHYLTHIO) HEXYL ACETATE [FHFI]; RefChem:495600; 3-(METHYLTHIO) HEXYL ACETATE; (+-)-3-(METHYLTHIO)HEXYL ACETATE; 3-(METHYLTHIO)HEXYL ACETATE, (+-)-; 610-722-3; 3-methylsulfanylhexyl acetate; 3-(Methylsulfanyl)hexyl acetate; (S)-3-Methylthiohexyl acetate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Durian, Fat, Fruit, Mango No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 67.4% (89 / 132) |
| GHS notification summary | 67.4% (89 / 132) |
|---|---|
| Reported hazard statements | H315 (32.6%) |
This chemical does not meet GHS hazard criteria for 67.4% (89 of 132) of all reports.
H315 (32.6%): Causes skin irritation [Warning Skin corrosion/irritation]
3-(Methylthio)-1-hexyl acetate · CAS 51755-85-2 · C9H18O2S. UNII 0GEW9KKA0D. Boiling Point: 75 °C (5 mm Hg); Density: 0.982-0.990; Refractive Index: 1.461-1.469.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酸3-甲硫基己酯