3,5,5-trimethyl-1-hexanol (CAS 3452-97-9) — formula C9H20O, molecular weight 144.15 g/mol; category organic chemicals.
3,5,5-trimethyl-1-hexanol (CAS 3452-97-9) is a organic chemicals. Its molecular formula C9H20O comprises 9 C, 20 H, 1 O atoms. Its molecular weight is about 144.15 g/mol. Reported physicochemical data: melting point around -70 °C, boiling point around 193-202 °C, LogP about 3. 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 | 3452-97-9 |
|---|---|
| Molecular Formula | C9H20O |
| Molecular Weight | 144.15 g/mol |
| Melting Point | -70 °C |
| Boiling Point | 193-202 °C |
| LogP | 3 |
| 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.
3,5,5-trimethyl-1-hexanol is a carbon-based organic compound with CAS registry number 3452-97-9 and molecular formula C9H20O (molecular weight 144.15 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3452-97-9
Its molecular formula C9H20O comprises 9 C, 20 H, 1 O atoms.
Also known as: 3,5,5-trimethyl-1-hexanol · 3,5,5-三甲基己醇
Category: organic chemicals / food flavors
The CAS registry number of 3,5,5-trimethyl-1-hexanol is 3452-97-9.
Molecular formula C9H20O, molecular weight 144.15 g/mol.
It is also registered under: 3,5,5-trimethyl-1-hexanol, 3,5,5-三甲基己醇.
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 3,5,5-trimethyl-1-hexanol (CAS 3452-97-9), compiled from public chemistry databases.
| CAS Registry Number | 3452-97-9 |
|---|---|
| PubChem CID | 18938 |
| Molecular formula | C9H20O |
| Molecular weight | 144.15 g/mol |
| IUPAC name | 3,5,5-trimethylhexan-1-ol |
| InChIKey | BODRLKRKPXBDBN-UHFFFAOYSA-N |
| UNII (FDA) | O5KUD6I57K |
| ChEBI ID | CHEBI:178388 |
| FEMA number | 3324 |
| JECFA number | 268 |
| Molecular Weight | 144.25 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 144.151415257 |
| Monoisotopic Mass | 144.151415257 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 10 |
| Boiling Point | 193-202 °C |
|---|---|
| Boiling Point | 142 °C (150 mm Hg) |
| Melting Point | -70 °C |
| Flash Point | 93 °C o.c. |
| Density | 0.835 (20 °C/20 °C) |
| Vapor Pressure | 0.3 [mmHg] |
| Refractive Index | 1.435 |
3,5,5-Trimethylhexan-1-ol; 3,5,5-Trimethyl-1-hexanol; 3452-97-9; Nonylol; 3,5,5-Trimethylhexanol; 1-Hexanol, 3,5,5-trimethyl-; 3,5,5-Trimethylhexyl alcohol; Trimethylhexyl alcohol; FEMA No. 3324; DTXSID7029661; O5KUD6I57K; NSC-83151; NSC-97226; DTXCID309661; RefChem:91303; 222-376-7
| 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 |
|---|---|
| GHS notification summary | 2.9% (24 / 838) |
| GHS notification summary | 2.9% (24 / 838) |
|---|---|
| Reported hazard statements | H315 (69.7%), H319 (64.3%), H373 (72%), H412 (27.4%), H401, H227, H302, H313 |
This chemical does not meet GHS hazard criteria for 2.9% (24 of 838) of reports.
H315 (69.7%): Causes skin irritation [Warning Skin corrosion/irritation]
3,5,5-trimethyl-1-hexanol is identified by CAS 3452-97-9, molecular formula C9H20O and molecular weight 144.15 g/mol. UNII O5KUD6I57K; ChEBI 178388; InChIKey BODRLKRKPXBDBN-UHFFFAOYSA-N. Boiling Point: 193-202 °C; Boiling Point: 142 °C (150 mm Hg); Melting Point: -70 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,5,5-三甲基己醇