3-(hydroxymethyl)heptan-2-one (CAS 65405-68-7) — formula C8H16O2, molecular weight 144.21; category organic chemicals.
| 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 编织袋、20/25/50kg 纸板桶、200kg 塑料桶、1000kg IBC（以订单确认为准） |
| 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, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。 |
| Category | Organic Chemicals |
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, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。.
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: 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, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。.
Category: Organic Chemicals.
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