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2-methylheptanoic acid · CAS 1188-02-9 · C8H16O2. UNII 42C9131FOZ. Boiling Point: 140.00 °C. @ 30.00 mm Hg; Boiling Point: 121-122 °C (13 mm Hg); Melting Point: 15.00 °C. @ 760.00 mm Hg.
| CAS Registry Number | 1188-02-9 |
|---|---|
| PubChem CID | 14475 |
| Molecular formula | C8H16O2 |
| IUPAC name | 2-methylheptanoic acid |
| UNII (FDA) | 42C9131FOZ |
| FEMA number | 2706 |
| JECFA number | 1212 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 2.9 |
| 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 |
| Formal Charge | 0 |
| Boiling Point | 140.00 °C. @ 30.00 mm Hg |
|---|---|
| Boiling Point | 121-122 °C (13 mm Hg) |
| Melting Point | 15.00 °C. @ 760.00 mm Hg |
| Density | 0.899-0.905 |
| Refractive Index | 1.420-1.427 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 5.4% (79 / 1450) |
| GHS notification summary | 5.4% (79 / 1450) |
|---|---|
| Reported hazard statements | H315 (94.4%), H319 (91.4%) |
This chemical does not meet GHS hazard criteria for 5.4% (79 of 1450) of reports.
H315 (94.4%): Causes skin irritation [Warning Skin corrosion/irritation]
2-METHYLHEPTANOIC ACID; 2-Methylenanthic acid; Heptanoic acid, 2-methyl-; alpha-Methylheptanoic acid; FEMA No. 2706; 42C9131FOZ; UNII-42C9131FOZ; EINECS 214-704-2; 2-METHYLHEPTANOIC ACID [FHFI]; DTXSID20862581; .ALPHA.-METHYLHEPTANOIC ACID; RefChem:88329; DTXCID30811323; (+-)-2-METHYLHEPTANOIC ACID; 214-704-2; NKBWMBRPILTCRD-UHFFFAOYSA-N
CAS 1188-02-9; molecular formula C8H16O2; molecular weight — g/mol.
2-METHYLHEPTANOIC ACID, 2-Methylenanthic acid, Heptanoic acid, 2-methyl-, alpha-Methylheptanoic acid, FEMA No. 2706, 42C9131FOZ.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
5.4% of GHS notifications report no hazard classification (79 of 1450).
Boiling Point: 140.00 °C. @ 30.00 mm Hg; Boiling Point: 121-122 °C (13 mm Hg); Melting Point: 15.00 °C. @ 760.00 mm Hg; Density: 0.899-0.905.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.