isopropyl caproate (CAS 2311-46-8) — formula C9H18O2, molecular weight 158.24; category organic chemicals.
| CAS Number | 2311-46-8 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.24 |
| Boiling Point | 172.00 to 173.00 °C. @ 760.00 mm Hg |
| LogP | 2.8 |
| 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.
isopropyl caproate is a carbon-based organic compound with CAS registry number 2311-46-8 and molecular formula C9H18O2 (molecular weight 158.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2311-46-8
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: isopropyl caproate · 己酸异丙酯
Category: organic chemicals
The CAS registry number of isopropyl caproate is 2311-46-8.
Molecular formula C9H18O2, molecular weight 158.24.
It is also registered under: isopropyl caproate, 己酸异丙酯.
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 isopropyl caproate (CAS 2311-46-8), compiled from public chemistry databases.
| CAS Registry Number | 2311-46-8 |
|---|---|
| PubChem CID | 16832 |
| Molecular formula | C9H18O2 |
| IUPAC name | propan-2-yl hexanoate |
| UNII (FDA) | 84AO2UI60U |
| FEMA number | 2950 |
| JECFA number | 308 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 172.00 to 173.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 176 °C |
| Density | 0.854-0.860 (20 °C) |
| Refractive Index | 1.405 |
ISOPROPYL HEXANOATE; n-Caproic acid isopropyl ester; Isopropyl caproate; propan-2-yl hexanoate; Hexanoic acid, 1-methylethyl ester; Hexanoic acid, isopropyl ester; Isopropyl hexylate; 1-Methylethyl hexanoate; Isopropyl capronate; iso-Propyl n-hexanoate; FEMA No. 2950; UNII-84AO2UI60U; 84AO2UI60U; n-C5H11C(O)OCH(CH3)2; EINECS 219-000-9; WE(2:0(1Me)/6:0)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fresh No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 9.3% (135 / 1449) |
| GHS notification summary | 9.3% (135 / 1449) |
|---|---|
| Reported hazard statements | H226 (90.7%) |
This chemical does not meet GHS hazard criteria for 9.3% (135 of 1449) of reports.
H226 (90.7%): Flammable liquid and vapor [Warning Flammable liquids]
isopropyl caproate · CAS 2311-46-8 · C9H18O2. UNII 84AO2UI60U. Boiling Point: 172.00 to 173.00 °C. @ 760.00 mm Hg; Boiling Point: 176 °C; Density: 0.854-0.860 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 己酸异丙酯