2-heptanol (CAS 543-49-7) — formula C7H16O, molecular weight 116.12 g/mol; category organic chemicals.
| CAS Number | 543-49-7 |
|---|---|
| Molecular Formula | C7H16O |
| Molecular Weight | 116.12 g/mol |
| Boiling Point | 158-160 °C |
| LogP | 2.31 |
| Category | Organic Chemicals |
2-heptanol is a carbon-based organic compound with CAS registry number 543-49-7 and molecular formula C7H16O (molecular weight 116.12 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 543-49-7
Its molecular formula C7H16O comprises 7 C, 16 H, 1 O atoms.
Also known as: 2-heptanol · 2-庚醇
Category: organic chemicals
The CAS registry number of 2-heptanol is 543-49-7.
Molecular formula C7H16O, molecular weight 116.12 g/mol.
It is also registered under: 2-heptanol, 2-庚醇.
Category: Organic Chemicals.
Independent reference data for 2-heptanol (CAS 543-49-7), compiled from public chemistry databases.
| CAS Registry Number | 543-49-7 |
|---|---|
| PubChem CID | 10976 |
| Molecular formula | C7H16O |
| Molecular weight | 116.12 g/mol |
| IUPAC name | heptan-2-ol |
| InChIKey | CETWDUZRCINIHU-UHFFFAOYSA-N |
| UNII (FDA) | E12FIG07JK |
| ChEBI ID | CHEBI:88815 |
| FEMA number | 3288 |
| JECFA number | 284 |
| Molecular Weight | 116.20 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 116.120115130 |
| Monoisotopic Mass | 116.120115130 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 8 |
| Boiling Point | 158-160 °C |
|---|---|
| Boiling Point | 157-161 °C |
| Flash Point | 160 °F (NFPA, 2010) |
| Flash Point | 71 °C c.c. |
| Density | 0.817-0.819 (20 °C) |
| Vapor Pressure | 1.23 [mmHg] |
| LogP | 2.31 |
| Refractive Index | 1.421-1.422 |
2-HEPTANOL; Heptan-2-ol; 543-49-7; s-Heptyl alcohol; 2-Heptyl alcohol; 2-Hydroxyheptane; Amyl methyl carbinol; 1-Methylhexanol; Methyl amyl carbinol; Heptanol-2; Heptyl alcohol, sec-; 2-Heptanol (natural); FEMA No. 3288; NSC 2220; DTXSID1047158; EINECS 208-844-3
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Citrus, Earth, Fried, Mushroom, Oil No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (2 / 1799) |
| GHS notification summary | 0.1% (2 / 1799) |
|---|---|
| Reported hazard statements | H226 (96.6%), H312 (99.8%), H315 (94.3%), H319 (97.6%) |
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1799) of reports.
H226 (96.6%): Flammable liquid and vapor [Warning Flammable liquids]
2-heptanol is identified by CAS 543-49-7, molecular formula C7H16O and molecular weight 116.12 g/mol. UNII E12FIG07JK; ChEBI 88815; InChIKey CETWDUZRCINIHU-UHFFFAOYSA-N. Boiling Point: 158-160 °C; Boiling Point: 157-161 °C; Flash Point: 160 °F (NFPA, 2010).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-庚醇