2-ETHYLHEXANOL (CAS 104-76-7) — formula C8H18O, molecular weight 130.23; category organic chemicals.
2-ETHYLHEXANOL is a carbon-based organic compound with CAS registry number 104-76-7 and molecular formula C8H18O (molecular weight 130.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 104-76-7
Its molecular formula C8H18O comprises 8 C, 18 H, 1 O atoms.
Also known as: 2-ETHYLHEXANOL · 2-Ethyl-1-hexanol
Category: organic chemicals
The CAS registry number of 2-ETHYLHEXANOL is 104-76-7.
Molecular formula C8H18O, molecular weight 130.23.
It is also registered under: 2-ETHYLHEXANOL, 2-Ethyl-1-hexanol.
Category: Organic Chemicals.
Public-database records for 2-ETHYLHEXANOL (CAS 104-76-7), reproduced here for independent cross-checking.
| GHS 通报统计 | 0.7% (26 / 3744) |
|---|---|
| 已通报的危害声明 | H315 (88.6%), H319 (98.7%), H332 (71.2%), H335 (72.5%), H402, H227, H336, H361 |
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA 21 CFR 中列出的食品接触物质清单：FCS FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS Flavoring Agents |
|---|---|
| GHS 通报统计 | 0.7% (26 / 3744) |
| 沸点 | 363 to 365 °F at 760 mmHg (NTP, 1992) |
|---|---|
| 沸点 | 184.34 °C |
| 沸点 | 184.00 to 186.00 °C. @ 760.00 mm Hg |
| 沸点 | 182 °C |
| 沸点 | 183 °C |
| 沸点 | 363-365 °F |
| 沸点 | 184.6 °C @760 [mm Hg] |
| 熔点 | -105 °F (NTP, 1992) |
| 熔点 | -70 °C |
| 熔点 | -76.00 °C. @ 760.00 mm Hg |
| CAS 号 | 104-76-7 |
|---|---|
| PubChem CID | 7720 |
| 分子式 | C8H18O |
| 分子量 | 130.14 g/mol |
| IUPAC 名称 | 2-ethylhexan-1-ol |
| InChIKey | YIWUKEYIRIRTPP-UHFFFAOYSA-N |
| UNII（FDA） | XZV7TAA77P |
| ChEBI 编号 | CHEBI:16011 |
| FEMA 编号 | 3151 |
| JECFA 编号 | 267 |
2-Ethylhexan-1-ol; 2-Ethylhexanol; 2-ETHYL-1-HEXANOL; 104-76-7; 2-Ethylhexyl alcohol; 1-Hexanol, 2-ethyl-; Ethylhexanol; 2-ETHYL HEXANOL; 2-Aethylhexanol; Alcohol, 2-ethylhexyl; FEMA No. 3151; DTXSID5020605; XZV7TAA77P; NSC-9300; DTXCID10605; CHEBI:16011
| 分子量 | 130.23 |
|---|---|
| XLogP3 | 3.1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 1 |
| 可旋转键数 | 5 |
| 精确质量 | 130.135765193 |
| 单同位素质量 | 130.135765193 |
| 拓扑极性表面积 | 20.2 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
异辛醇 的 CAS 号为 104-76-7，分子式 C8H18O，分子量 130.14 g/mol。 UNII XZV7TAA77P; ChEBI 16011; InChIKey YIWUKEYIRIRTPP-UHFFFAOYSA-N. 沸点: 363 to 365 °F at 760 mmHg (NTP, 1992); 沸点: 184.34 °C; 沸点: 184.00 to 186.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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