CIS-3-HEXENYL CAPROATE (CAS 31501-11-8) — formula C12H22O2, molecular weight 198.30; category organic chemicals.
CIS-3-HEXENYL CAPROATE (CAS 31501-11-8) is a chemical raw material in the organic chemicals category. 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 115.00 °C. @ 15.00 mm Hg, LogP about 3.8. 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 | 31501-11-8 |
|---|---|
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.30 |
| Boiling Point | 115.00 °C. @ 15.00 mm Hg |
| LogP | 3.8 |
| Applications | Fragrance Ingredients, Flavouring Agent, Flavoring Agents, Household Products: Information on 1 consumer products that contain (Z)-Hex-3-enyl hexanoate in the following categories is provided, • Inside the Home, Hexanoic acid |
| Category | Organic Chemicals |
Documented applications: Fragrance Ingredients, Flavouring Agent, Flavoring Agents, Household Products: Information on 1 consumer products that contain (Z)-Hex-3-enyl hexanoate in the following categories is provided, • Inside the Home, Hexanoic acid.
CIS-3-HEXENYL CAPROATE is a carbon-based organic compound with CAS registry number 31501-11-8 and molecular formula C12H22O2 (molecular weight 198.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31501-11-8
Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.
Also known as: CIS-3-HEXENYL CAPROATE
Category: organic chemicals
The CAS registry number of CIS-3-HEXENYL CAPROATE is 31501-11-8.
Molecular formula C12H22O2, molecular weight 198.30.
It is also registered under: CIS-3-HEXENYL CAPROATE.
Recorded applications: Fragrance Ingredients, Flavouring Agent, Flavoring Agents, Household Products: Information on 1 consumer products that contain (Z)-Hex-3-enyl hexanoate in the following categories is provided, • Inside the Home, Hexanoic acid.
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 CIS-3-HEXENYL CAPROATE (CAS 31501-11-8), compiled from public chemistry databases.
| CAS Registry Number | 31501-11-8 |
|---|---|
| PubChem CID | 5352543 |
| Molecular formula | C12H22O2 |
| Molecular weight | 198.16 g/mol |
| IUPAC name | [(Z)-hex-3-enyl] hexanoate |
| InChIKey | RGACQXBDYBCJCY-ALCCZGGFSA-N |
| UNII (FDA) | UYX8RFU917 |
| ChEBI ID | CHEBI:171813 |
| FEMA number | 3403 |
| JECFA number | 165 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 3.8 |
| 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 | 115.00 °C. @ 15.00 mm Hg |
|---|---|
| Boiling Point | 122 °C (12 mmHg) |
| Density | 0.870-0.890 |
| Refractive Index | 1.420-1.440 |
cis-3-Hexenyl hexanoate; 31501-11-8; (Z)-3-hexenyl hexanoate; cis-3-Hexenyl caproate; cis-3-Hexenyl hexoate; (3Z)-Hex-3-en-1-yl hexanoate; (Z)-Hex-3-enyl hexanoate; Hexanoic acid, (3Z)-3-hexenyl ester; 3-Hexenyl hexanoate, cis-; Hexanoic acid, 3-hexenyl ester, (Z)-; 3-Hexenyl hexanoate, (Z)-; cis-Hexanoic acid, 3-hexenyl ester; FEMA No. 3403; cis-3-Hexenyl caproate (hexanoate); Hexanoic acid, (3Z)-3-hexen-1-yl ester; 3-Hexenyl hexanoate, (3Z)-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Prune No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 80.1% (173 / 216) |
| GHS notification summary | 80.1% (173 / 216) |
|---|---|
| Reported hazard statements | H315 (19.4%), H319 (19.4%), H335 (19.4%) |
This chemical does not meet GHS hazard criteria for 80.1% (173 of 216) of all reports.
H315 (19.4%): Causes skin irritation [Warning Skin corrosion/irritation]
cis-3-Hexenyl hexanoate (Leaf hexanoate) is identified by CAS 31501-11-8, molecular formula C12H22O2 and molecular weight 198.16 g/mol. UNII UYX8RFU917; ChEBI 171813; InChIKey RGACQXBDYBCJCY-ALCCZGGFSA-N. Boiling Point: 115.00 °C. @ 15.00 mm Hg; Boiling Point: 122 °C (12 mmHg); Density: 0.870-0.890.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: CIS-3-HEXENYL CAPROATE