2-hexyl-4,5-dimethyl-1,3-dioxolane (CAS 6454-22-4) — formula C11H22O2, molecular weight 186.29; category organic chemicals.
| CAS Number | 6454-22-4 |
|---|---|
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.29 |
| Boiling Point | 101 °C (9 mm Hg) |
| LogP | 3.6 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 1, 3-Dioxolane, 2-hexyl-4, 5-dimethyl-: INACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 1, 3-Dioxolane, 2-hexyl-4, 5-dimethyl-: INACTIVE.
2-hexyl-4,5-dimethyl-1,3-dioxolane is a carbon-based organic compound with CAS registry number 6454-22-4 and molecular formula C11H22O2 (molecular weight 186.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6454-22-4
Its molecular formula C11H22O2 comprises 11 C, 22 H, 2 O atoms.
Also known as: 2-hexyl-4,5-dimethyl-1,3-dioxolane · 2-己基-4,5-二甲基-1,3-二氧戊环
Category: organic chemicals
The CAS registry number of 2-hexyl-4,5-dimethyl-1,3-dioxolane is 6454-22-4.
Molecular formula C11H22O2, molecular weight 186.29.
It is also registered under: 2-hexyl-4,5-dimethyl-1,3-dioxolane, 2-己基-4,5-二甲基-1,3-二氧戊环.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 1, 3-Dioxolane, 2-hexyl-4, 5-dimethyl-: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-hexyl-4,5-dimethyl-1,3-dioxolane (CAS 6454-22-4), compiled from public chemistry databases.
| CAS Registry Number | 6454-22-4 |
|---|---|
| PubChem CID | 94886 |
| Molecular formula | C11H22O2 |
| IUPAC name | 2-hexyl-4,5-dimethyl-1,3-dioxolane |
| UNII (FDA) | SI7098BB5P |
| FEMA number | 4048 |
| JECFA number | 1712 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 18.5 |
| Heavy Atom Count | 13 |
| Boiling Point | 101 °C (9 mm Hg) |
|---|---|
| Density | 0.876-0.886 |
| Refractive Index | 1.425-1.430 |
2-Hexyl-4,5-dimethyl-1,3-dioxolane; 6454-22-4; 1,3-Dioxolane, 2-hexyl-4,5-dimethyl-; UNII-SI7098BB5P; SI7098BB5P; NSC 6594; NSC-6594; EINECS 229-261-0; 1,3-Dioxolane, 4,5-dimethyl-2-hexyl-; AI3-22551; FEMA NO. 4048; DTXSID50863849; HEPTANAL 2,3-BUTYLENE GLYCOL ACETAL; 2-HEXYL-4,5-DIMETHYL-1,3-DIOXOLANE [FHFI]; RefChem:87301; DTXCID00812423
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
2-hexyl-4,5-dimethyl-1,3-dioxolane · CAS 6454-22-4 · C11H22O2. UNII SI7098BB5P. Boiling Point: 101 °C (9 mm Hg); Density: 0.876-0.886; Refractive Index: 1.425-1.430.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-己基-4,5-二甲基-1,3-二氧戊环