trans-2-hexenyl caproate (CAS 53398-86-0) — formula C12H22O2, molecular weight 198.30; category organic chemicals.
trans-2-hexenyl caproate (CAS 53398-86-0) is a organic chemicals. Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms. Its molecular weight is about 198.30. Reported physicochemical data: boiling point around 125.00 °C. @ 25.00 mm Hg, LogP about 3.9. 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 | 53398-86-0 |
|---|---|
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.30 |
| Boiling Point | 125.00 °C. @ 25.00 mm Hg |
| LogP | 3.9 |
| 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 |
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.
trans-2-hexenyl caproate is a carbon-based organic compound with CAS registry number 53398-86-0 and molecular formula C12H22O2 (molecular weight 198.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53398-86-0
Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.
Also known as: trans-2-hexenyl caproate · 反-2-己烯己酸酯 · trans-2-Hexenyl hexanoate
Category: organic chemicals
The CAS registry number of trans-2-hexenyl caproate is 53398-86-0.
Molecular formula C12H22O2, molecular weight 198.30.
It is also registered under: trans-2-hexenyl caproate, 反-2-己烯己酸酯, trans-2-Hexenyl hexanoate.
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.
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 trans-2-hexenyl caproate (CAS 53398-86-0), compiled from public chemistry databases.
| CAS Registry Number | 53398-86-0 |
|---|---|
| PubChem CID | 5352973 |
| Molecular formula | C12H22O2 |
| Molecular weight | 198.16 g/mol |
| IUPAC name | [(E)-hex-2-enyl] hexanoate |
| InChIKey | UQPLEMTXCSYMEK-VQHVLOKHSA-N |
| UNII (FDA) | CF5RIO6PQE |
| ChEBI ID | CHEBI:171834 |
| FEMA number | 3983 |
| JECFA number | 1381 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 198.161979940 |
| Monoisotopic Mass | 198.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 125.00 °C. @ 25.00 mm Hg |
|---|---|
| Boiling Point | 125 °C (25 mm Hg) |
| Density | 0.875-0.885 |
| Refractive Index | 1.432-1.446 |
trans-2-Hexenyl Hexanoate; 53398-86-0; (E)-2-Hexenyl hexanoate; trans-2-Hexenyl caproate; [(E)-hex-2-enyl] hexanoate; Hexanoic acid, 2-hexenyl ester, (E)-; CF5RIO6PQE; Hexanoic acid, (2E)-2-hexen-1-yl ester; 2-Hexenyl hexanoate, (2E)-; Hexanoic acid, (2E)-2-hexenyl ester; (E)Hex-2-enyl hexanoate; EINECS 258-519-5; AI3-35968; FEMA NO. 3983; WE(6:1(2E)/6:0); DTXSID50886053
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green 2-HEXENYL HEXANOATE, TRANS- |
|---|---|
| GHS notification summary | 99.3% (138 / 139) |
| GHS notification summary | 99.3% (138 / 139) |
|---|
This chemical does not meet GHS hazard criteria for 99.3% (138 of 139) of all reports.
Reported as not meeting GHS hazard criteria by 138 of 139 companies (only 0.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
trans-2-Hexenyl hexanoate is identified by CAS 53398-86-0, molecular formula C12H22O2 and molecular weight 198.16 g/mol. UNII CF5RIO6PQE; ChEBI 171834; InChIKey UQPLEMTXCSYMEK-VQHVLOKHSA-N. Boiling Point: 125.00 °C. @ 25.00 mm Hg; Boiling Point: 125 °C (25 mm Hg); Density: 0.875-0.885.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 反-2-己烯己酸酯