3-(hydroxymethyl)heptan-2-one (CAS 65405-68-7) — formula C8H16O2, molecular weight 144.21; category organic chemicals.
3-(hydroxymethyl)heptan-2-one (CAS 65405-68-7) is a organic chemicals. Its molecular formula C8H16O2 comprises 8 C, 16 H, 2 O atoms. Its molecular weight is about 144.21. Reported physicochemical data: boiling point around 94.00 to 96.00 °C. @ 9.00 mm Hg, LogP about 1.2. 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 | 65405-68-7 |
|---|---|
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.21 |
| Boiling Point | 94.00 to 96.00 °C. @ 9.00 mm Hg |
| LogP | 1.2 |
| 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 |
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-(hydroxymethyl)heptan-2-one is a carbon-based organic compound with CAS registry number 65405-68-7 and molecular formula C8H16O2 (molecular weight 144.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 65405-68-7
Its molecular formula C8H16O2 comprises 8 C, 16 H, 2 O atoms.
Also known as: 3-(hydroxymethyl)heptan-2-one · 3-(羟甲基)-2-庚酮 · 3-Octanon-1-ol
Category: organic chemicals
The CAS registry number of 3-(hydroxymethyl)heptan-2-one is 65405-68-7.
Molecular formula C8H16O2, molecular weight 144.21.
It is also registered under: 3-(hydroxymethyl)heptan-2-one, 3-(羟甲基)-2-庚酮, 3-Octanon-1-ol.
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 3-(hydroxymethyl)heptan-2-one (CAS 65405-68-7), compiled from public chemistry databases.
| CAS Registry Number | 65405-68-7 |
|---|---|
| PubChem CID | 5362561 |
| Molecular formula | C8H16O2 |
| Molecular weight | 144.12 g/mol |
| IUPAC name | 3-(hydroxymethyl)heptan-2-one |
| InChIKey | MHOXVRWQBOAOAU-UHFFFAOYSA-N |
| UNII (FDA) | NWU4UN7SMJ |
| ChEBI ID | CHEBI:179943 |
| FEMA number | 2804 |
| JECFA number | 604 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115029749 |
| Monoisotopic Mass | 144.115029749 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 94.00 to 96.00 °C. @ 9.00 mm Hg |
|---|---|
| Boiling Point | 94.6 °C (8-9 mm Hg) |
| Density | 0.945-0.949 |
| Refractive Index | 1.444-1.447 |
3-(Hydroxymethyl)heptan-2-one; 3-Octanon-1-ol; 3-(Hydroxymethyl)-2-heptanone; 2-Heptanone, 3-(hydroxymethyl)-; FEMA No. 2804; NWU4UN7SMJ; UNII-NWU4UN7SMJ; EINECS 265-739-5; DTXSID30867143; 3-OCTANON-1-OL [FHFI]; 3-HYDROXYMETHYL-2-HEPTANONE; 3-BUTYL-4-HYDROXY-2-BUTANONE; RefChem:92655; DTXCID10815349; (+-)-3-(HYDROXYMETHYL)-2-HEPTANONE; 3-(HYDROXYMETHYL)-2-HEPTANONE, (+-)-
| Regulatory & Food Contact | 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 Secondary components do not raise a safety concern. |
|---|---|
| GHS notification summary | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
3-Octanon-1-ol is identified by CAS 65405-68-7, molecular formula C8H16O2 and molecular weight 144.12 g/mol. UNII NWU4UN7SMJ; ChEBI 179943; InChIKey MHOXVRWQBOAOAU-UHFFFAOYSA-N. Boiling Point: 94.00 to 96.00 °C. @ 9.00 mm Hg; Boiling Point: 94.6 °C (8-9 mm Hg); Density: 0.945-0.949.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(羟甲基)-2-庚酮