3,5,5-trimethylhexanal (CAS 5435-64-3) — formula C9H18O, molecular weight 142.14 g/mol; category organic chemicals.
3,5,5-trimethylhexanal (CAS 5435-64-3) is a chemical raw material in the organic chemicals category. Its molecular formula C9H18O comprises 9 C, 18 H, 1 O atoms. Its molecular weight is about 142.14 g/mol. Reported physicochemical data: melting point around less than -60 °C, boiling point around 173 °C, LogP about 2.7. 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 | 5435-64-3 |
|---|---|
| Molecular Formula | C9H18O |
| Molecular Weight | 142.14 g/mol |
| Melting Point | less than -60 °C |
| Boiling Point | 173 °C |
| LogP | 2.7 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存 |
| Category | Organic Chemicals|Flavors |
Documented applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
3,5,5-trimethylhexanal is a carbon-based organic compound with CAS registry number 5435-64-3 and molecular formula C9H18O (molecular weight 142.14 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5435-64-3
Its molecular formula C9H18O comprises 9 C, 18 H, 1 O atoms.
Also known as: 3,5,5-trimethylhexanal · 3,5,5-三甲基己醛
Category: organic chemicals / food flavors
The CAS registry number of 3,5,5-trimethylhexanal is 5435-64-3.
Molecular formula C9H18O, molecular weight 142.14 g/mol.
It is also registered under: 3,5,5-trimethylhexanal, 3,5,5-三甲基己醛.
Recorded applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
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 3,5,5-trimethylhexanal (CAS 5435-64-3), compiled from public chemistry databases.
| CAS Registry Number | 5435-64-3 |
|---|---|
| PubChem CID | 21574 |
| Molecular formula | C9H18O |
| Molecular weight | 142.14 g/mol |
| IUPAC name | 3,5,5-trimethylhexanal |
| InChIKey | WTPYRCJDOZVZON-UHFFFAOYSA-N |
| UNII (FDA) | U62H30BXPJ |
| ChEBI ID | CHEBI:179602 |
| FEMA number | 3524 |
| JECFA number | 269 |
| Molecular Weight | 142.24 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 142.135765193 |
| Monoisotopic Mass | 142.135765193 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 10 |
| Boiling Point | 173 °C |
|---|---|
| Boiling Point | 67.00 to 68.00 °C. @ 2.50 mm Hg |
| Boiling Point | 67 °C (2.5 mm Hg) |
| Melting Point | less than -60 °C |
| Melting Point | < -60 °C |
| Flash Point | 116 °F; 47 °C; closed cup |
| Density | 0.820 g/cu cm at 20 °C |
| Density | 0.817-0.823 |
| Surface Tension | 25.5 millinewton/m at 20 °C |
| Refractive Index | 1.419-1.424 |
3,5,5-Trimethylhexanal; 5435-64-3; Isononylaldehyde; tert-Butylisopentanal; HEXANAL, 3,5,5-TRIMETHYL-; 3,5,5-Trimethylcapronaldehyde; FEMA No. 3524; green hexanal; Hexanal, 3,5,5-trimethl-; 3,5,5-Trimethyl hexanal; U62H30BXPJ; EINECS 226-603-0; NSC 21482; DTXSID6047107; BRN 1740882; HSDB 7626
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%), H315, H317 (88.2%), H402, H412, H320 |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
3,5,5-trimethylhexanal is identified by CAS 5435-64-3, molecular formula C9H18O and molecular weight 142.14 g/mol. UNII U62H30BXPJ; ChEBI 179602; InChIKey WTPYRCJDOZVZON-UHFFFAOYSA-N. Boiling Point: 173 °C; Boiling Point: 67.00 to 68.00 °C. @ 2.50 mm Hg; Boiling Point: 67 °C (2.5 mm Hg).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,5,5-三甲基己醛