3-(ACETYLTHIO)HEXYL ACETATE (CAS 136954-25-1) — formula C10H18O3S, molecular weight 218.32; category organic chemicals.
| CAS Number | 136954-25-1 |
|---|---|
| Molecular Formula | C10H18O3S |
| Molecular Weight | 218.32 |
| Boiling Point | 212.00 °C. @ 760.00 mm Hg |
| LogP | 2.2 |
| Category | Organic Chemicals |
3-(ACETYLTHIO)HEXYL ACETATE is a carbon-based organic compound with CAS registry number 136954-25-1 and molecular formula C10H18O3S (molecular weight 218.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 136954-25-1
Its molecular formula C10H18O3S comprises 10 C, 18 H, 3 O, 1 S atoms.
Also known as: 3-(ACETYLTHIO)HEXYL ACETATE · 乙酸3-(乙酰巯基)己酯 · 3-Acetylmercaptohexyl acetate
Category: organic chemicals
The CAS registry number of 3-(ACETYLTHIO)HEXYL ACETATE is 136954-25-1.
Molecular formula C10H18O3S, molecular weight 218.32.
It is also registered under: 3-(ACETYLTHIO)HEXYL ACETATE, 乙酸3-(乙酰巯基)己酯, 3-Acetylmercaptohexyl acetate.
Category: Organic Chemicals.
Independent reference data for 3-(ACETYLTHIO)HEXYL ACETATE (CAS 136954-25-1), compiled from public chemistry databases.
| CAS Registry Number | 136954-25-1 |
|---|---|
| PubChem CID | 2733977 |
| Molecular formula | C10H18O3S |
| Molecular weight | 218.10 g/mol |
| IUPAC name | 3-acetylsulfanylhexyl acetate |
| InChIKey | GSJSVAFGVJLTNQ-UHFFFAOYSA-N |
| UNII (FDA) | 2951Y254J9 |
| ChEBI ID | CHEBI:168680 |
| FEMA number | 3816 |
| JECFA number | 494 |
| Molecular Weight | 218.32 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 218.09766561 |
| Monoisotopic Mass | 218.09766561 |
| Topological Polar Surface Area | 68.7 |
| Heavy Atom Count | 14 |
| Boiling Point | 212.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 212 °C |
| Density | 1.035-1.040 |
| Refractive Index | 1.468-1.475 |
136954-25-1; 3-(Acetylmercapto)hexyl acetate; Passiflora acetate; FEMA No. 3816; 3-(ACETYLSULFANYL)HEXYL ACETATE; Ethanethioic acid, S-[1-[2-(acetyloxy)ethyl]butyl] ester; Ethanethioic acid, S-(1-(2-(acetyloxy)ethyl)butyl) ester; 2951Y254J9; DTXSID30869869; S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate; FEMA NO. 3851, ACETYLMERCAPTO-; S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate; RefChem:1098206; DTXCID20817773; 423-950-1; 3-(ACETYLTHIO)HEXYL ACETATE
| 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 |
|---|---|
| GHS notification summary | 13.3% (12 / 90) |
| GHS notification summary | 13.3% (12 / 90) |
|---|---|
| Reported hazard statements | H302 (86.7%), H315 (86.7%), H319 (86.7%), H335 (86.7%) |
This chemical does not meet GHS hazard criteria for 13.3% (12 of 90) of reports.
H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]
3-Acetylmercaptohexyl acetate is identified by CAS 136954-25-1, molecular formula C10H18O3S and molecular weight 218.10 g/mol. UNII 2951Y254J9; ChEBI 168680; InChIKey GSJSVAFGVJLTNQ-UHFFFAOYSA-N. Boiling Point: 212.00 °C. @ 760.00 mm Hg; Boiling Point: 212 °C; Density: 1.035-1.040.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酸3-(乙酰巯基)己酯