Allyl thiohexanoate (CAS 156420-69-8) — formula C9H16OS, molecular weight 172.09 g/mol.
| CAS Number | 156420-69-8 |
|---|---|
| Molecular Formula | C9H16OS |
| Molecular Weight | 172.09 g/mol |
| Boiling Point | 195.00 to 196.00 °C. @ 760.00 mm Hg |
| LogP | 3.2 |
Allyl thiohexanoate is a chemical compound with CAS registry number 156420-69-8 and molecular formula C9H16OS (molecular weight 172.09 g/mol).
CAS number: 156420-69-8
Its molecular formula C9H16OS comprises 9 C, 16 H, 1 O, 1 S atoms.
Also known as: Allyl thiohexanoate · 硫代己酸烯丙酯
The CAS registry number of Allyl thiohexanoate is 156420-69-8.
Molecular formula C9H16OS, molecular weight 172.09 g/mol.
It is also registered under: Allyl thiohexanoate, 硫代己酸烯丙酯.
Independent reference data for Allyl thiohexanoate (CAS 156420-69-8), compiled from public chemistry databases.
| CAS Registry Number | 156420-69-8 |
|---|---|
| PubChem CID | 71587538 |
| Molecular formula | C9H16OS |
| Molecular weight | 172.09 g/mol |
| IUPAC name | S-prop-2-enyl hexanethioate |
| InChIKey | TVKQYQGVHJUGJH-UHFFFAOYSA-N |
| UNII (FDA) | 8KK7J07P1Z |
| ChEBI ID | CHEBI:173793 |
| FEMA number | 4076 |
| JECFA number | 1681 |
| Molecular Weight | 172.29 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 172.09218630 |
| Monoisotopic Mass | 172.09218630 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 11 |
| Boiling Point | 195.00 to 196.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 195-196 °C |
| Density | 0.930-0.934 |
| Refractive Index | 1.473-1.479 |
Allyl thiohexanoate; 156420-69-8; 8KK7J07P1Z; FEMA NO. 4076; ALLYL THIOHEXANOATE [FHFI]; DTXSID401019876; 2-(ALLYLSULFANYL)-1-HEPTENE HYDRATE; HEXANETHIOIC ACID, S-2-PROPENYL ESTER; HEXANETHIOIC ACID, S-2-PROPEN-1-YL ESTER; RefChem:554891; DTXCID501477744; S-prop-2-enyl hexanethioate; UNII-8KK7J07P1Z; Allylthiohexanoate; S-allyl thio-hexanoate; SCHEMBL18339131
| 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 |
|---|
Allyl thiohexanoate is identified by CAS 156420-69-8, molecular formula C9H16OS and molecular weight 172.09 g/mol. UNII 8KK7J07P1Z; ChEBI 173793; InChIKey TVKQYQGVHJUGJH-UHFFFAOYSA-N. Boiling Point: 195.00 to 196.00 °C. @ 760.00 mm Hg; Boiling Point: 195-196 °C; Density: 0.930-0.934.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 硫代己酸烯丙酯