3-METHYLTHIO-1-HEXANOL (CAS 51755-66-9) — formula C7H16OS, molecular weight 148.27; category organic chemicals.
| CAS Number | 51755-66-9 |
|---|---|
| Molecular Formula | C7H16OS |
| Molecular Weight | 148.27 |
| Boiling Point | 140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg) |
| LogP | 1.9 |
| 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.
3-METHYLTHIO-1-HEXANOL is a carbon-based organic compound with CAS registry number 51755-66-9 and molecular formula C7H16OS (molecular weight 148.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 51755-66-9
Its molecular formula C7H16OS comprises 7 C, 16 H, 1 O, 1 S atoms.
Also known as: 3-METHYLTHIO-1-HEXANOL · 3-甲硫基己醇 · 3-(Methylthio)-1-hexanol
Category: organic chemicals
The CAS registry number of 3-METHYLTHIO-1-HEXANOL is 51755-66-9.
Molecular formula C7H16OS, molecular weight 148.27.
It is also registered under: 3-METHYLTHIO-1-HEXANOL, 3-甲硫基己醇, 3-(Methylthio)-1-hexanol.
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 3-METHYLTHIO-1-HEXANOL (CAS 51755-66-9), compiled from public chemistry databases.
| CAS Registry Number | 51755-66-9 |
|---|---|
| PubChem CID | 65413 |
| Molecular formula | C7H16OS |
| Molecular weight | 148.09 g/mol |
| IUPAC name | 3-methylsulfanylhexan-1-ol |
| InChIKey | JSASXSHMJYRPCM-UHFFFAOYSA-N |
| UNII (FDA) | CFU4A74TQT |
| FEMA number | 3438 |
| JECFA number | 463 |
| Molecular Weight | 148.27 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 148.09218630 |
| Monoisotopic Mass | 148.09218630 |
| Topological Polar Surface Area | 45.5 |
| Heavy Atom Count | 9 |
| Boiling Point | 140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg) |
|---|---|
| Density | 0.964-0.974 (20 °C) |
| Refractive Index | 1.474-1.489 |
3-(Methylthio)-1-hexanol; 51755-66-9; 3-(Methylthio)hexan-1-ol; 3-methylsulfanylhexan-1-ol; 1-Hexanol, 3-(methylthio)-; 3-(Methylmercapto)-1-hexanol; FEMA No. 3438; CFU4A74TQT; 3-methylthio-1-hexanol; 3-(methyl thio) hexanol; EINECS 257-380-8; AI3-37114; 3-METHYLTHIO-1-HEXANOL [FHFI]; RefChem:495589; (+-)-3-(METHYLTHIO)-1-HEXANOL; 3-(METHYLTHIO)-1-HEXANOL, (+-)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Black Currant, Fruit, Melon No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 1.8% (27 / 1475) |
| GHS notification summary | 1.8% (27 / 1475) |
|---|---|
| Reported hazard statements | H315 (91.1%), H319 (91.3%), H335 (98.1%) |
This chemical does not meet GHS hazard criteria for 1.8% (27 of 1475) of reports.
H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]
3-(Methylthio)-1-hexanol is identified by CAS 51755-66-9, molecular formula C7H16OS and molecular weight 148.09 g/mol. UNII CFU4A74TQT; InChIKey JSASXSHMJYRPCM-UHFFFAOYSA-N. Boiling Point: 140-145 °C; 130 °C (30 mm Hg); 61-62 °C (10 mm Hg); Density: 0.964-0.974 (20 °C); Refractive Index: 1.474-1.489.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲硫基己醇