2-Undecanol (CAS 1653-30-1) — formula C11H24O, molecular weight 172.18 g/mol; category organic chemicals.
2-Undecanol is a carbon-based organic compound with CAS registry number 1653-30-1 and molecular formula C11H24O (molecular weight 172.18 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1653-30-1
Its molecular formula C11H24O comprises 11 C, 24 H, 1 O atoms.
Also known as: 2-Undecanol · undecan-2-ol
Category: organic chemicals
The CAS registry number of 2-Undecanol is 1653-30-1.
Molecular formula C11H24O, molecular weight 172.18 g/mol.
It is also registered under: 2-Undecanol, undecan-2-ol.
Category: Organic Chemicals.
Public-database records for 2-Undecanol (CAS 1653-30-1), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%), H411 (100%) |
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H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, 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 |
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| 沸点 | 232.00 to 233.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 233 °C |
| 熔点 | -11.00 to -9.00 °C. @ 760.00 mm Hg |
| 溶解度 | 0.197 mg/mL at 25 °C |
| 密度 | 0.828-0.831 (20 °C) |
| 折射率 | 1.437-1.439 |
| CAS Registry Number | 1653-30-1 |
|---|---|
| PubChem CID | 15448 |
| 分子式 | C11H24O |
| 分子量 | 172.18 g/mol |
| IUPAC 名称 | undecan-2-ol |
| InChIKey | XMUJIPOFTAHSOK-UHFFFAOYSA-N |
| UNII（FDA） | 49PCZ1S7LY |
| ChEBI 编号 | CHEBI:77930 |
| FEMA 编号 | 3246 |
| JECFA 编号 | 297 |
2-UNDECANOL; Undecan-2-ol; 1653-30-1; 2-Hendecanol; 2-Hydroxyundecane; sec-Undecyl Alcohol; FEMA No. 3246; 49PCZ1S7LY; CHEBI:77930; (+-)-2-Undecanol; DTXSID2058673; RefChem:483844; DTXCID107962; 216-722-6; Methyl nonyl carbinol; 113666-64-1
| 分子量 | 172.31 |
|---|---|
| XLogP3 | 4.5 |
| 氢键供体数 | 1 |
| 氢键受体数 | 1 |
| 可旋转键数 | 8 |
| 精确质量 | 172.182715385 |
| 单同位素质量 | 172.182715385 |
| 拓扑极性表面积 | 20.2 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
2-Undecanol is identified by CAS 1653-30-1, molecular formula C11H24O and molecular weight 172.18 g/mol. UNII 49PCZ1S7LY; ChEBI 77930; InChIKey XMUJIPOFTAHSOK-UHFFFAOYSA-N. 沸点: 232.00 to 233.00 °C. @ 760.00 mm Hg; 沸点: 233 °C; 熔点: -11.00 to -9.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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