cyclohexyl isovalerate (CAS 7774-44-9) — formula C11H20O2, molecular weight 184.15 g/mol; category organic chemicals.
cyclohexyl isovalerate (CAS 7774-44-9) is a organic chemicals. Its molecular formula C11H20O2 comprises 11 C, 20 H, 2 O atoms. Its molecular weight is about 184.15 g/mol. Reported physicochemical data: boiling point around 223.00 °C. @ 760.00 mm Hg, LogP about 3.2. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 7774-44-9 |
|---|---|
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.15 g/mol |
| Boiling Point | 223.00 °C. @ 760.00 mm Hg |
| LogP | 3.2 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
cyclohexyl isovalerate is a carbon-based organic compound with CAS registry number 7774-44-9 and molecular formula C11H20O2 (molecular weight 184.15 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7774-44-9
Its molecular formula C11H20O2 comprises 11 C, 20 H, 2 O atoms.
Also known as: cyclohexyl isovalerate · 3-甲基丁酸环己基酯
Category: organic chemicals / food flavors
The CAS registry number of cyclohexyl isovalerate is 7774-44-9.
Molecular formula C11H20O2, molecular weight 184.15 g/mol.
It is also registered under: cyclohexyl isovalerate, 3-甲基丁酸环己基酯.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Organic Chemicals / Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for cyclohexyl isovalerate (CAS 7774-44-9), compiled from public chemistry databases.
| CAS Registry Number | 7774-44-9 |
|---|---|
| PubChem CID | 287439 |
| Molecular formula | C11H20O2 |
| Molecular weight | 184.15 g/mol |
| IUPAC name | cyclohexyl 3-methylbutanoate |
| InChIKey | SQPOKBBCNZIWFI-UHFFFAOYSA-N |
| UNII (FDA) | 6SQ3O6ST39 |
| ChEBI ID | CHEBI:171833 |
| FEMA number | 2355 |
| JECFA number | 1096 |
| Molecular Weight | 184.27 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 184.146329876 |
| Monoisotopic Mass | 184.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 223.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 58-62 °C |
| Density | 0.945-0.952 |
| Refractive Index | 1.439-1.445 |
Cyclohexyl isovalerate; Cyclohexyl 3-methylbutanoate; Isovaleric acid cyclohexyl ester; Isovaleric acid, cyclohexyl ester; Butanoic acid, 3-methyl-, cyclohexyl ester; FEMA No. 2355; UNII-6SQ3O6ST39; 6SQ3O6ST39; Cyclohexyl iso-valerate; EINECS 231-874-3; NSC 147480; NSC-147480; AI3-38989; DTXSID1064796; CYCLOHEXYL ISOVALERATE [FHFI]; Isovaleric acid, cyclohexyl ester (8CI)
| 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 |
|---|---|
| GHS notification summary | 6.5% (89 / 1375) |
| GHS notification summary | 6.5% (89 / 1375) |
|---|---|
| Reported hazard statements | H226 (93.5%) |
This chemical does not meet GHS hazard criteria for 6.5% (89 of 1375) of reports.
H226 (93.5%): Flammable liquid and vapor [Warning Flammable liquids]
cyclohexyl isovalerate is identified by CAS 7774-44-9, molecular formula C11H20O2 and molecular weight 184.15 g/mol. UNII 6SQ3O6ST39; ChEBI 171833; InChIKey SQPOKBBCNZIWFI-UHFFFAOYSA-N. Boiling Point: 223.00 °C. @ 760.00 mm Hg; Boiling Point: 58-62 °C; Density: 0.945-0.952.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基丁酸环己基酯