Pimelic acid (CAS 111-16-0) — formula C7H12O4, molecular weight 160.17; category organic chemicals.
| CAS Number | 111-16-0 |
|---|---|
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.17 |
| Melting Point | 106 |
| Boiling Point | 342 |
| LogP | 0.61 |
| Category | Organic Chemicals |
Pimelic acid is a carbon-based organic compound with CAS registry number 111-16-0 and molecular formula C7H12O4 (molecular weight 160.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 111-16-0
Its molecular formula C7H12O4 comprises 7 C, 12 H, 4 O atoms.
Also known as: Pimelic acid · 庚二酸
Category: organic chemicals
The CAS registry number of Pimelic acid is 111-16-0.
Molecular formula C7H12O4, molecular weight 160.17.
It is also registered under: Pimelic acid, 庚二酸.
Category: Organic Chemicals.
Independent reference data for Pimelic acid (CAS 111-16-0), compiled from public chemistry databases.
| CAS Registry Number | 111-16-0 |
|---|---|
| PubChem CID | 385 |
| Molecular formula | C7H12O4 |
| IUPAC name | heptanedioic acid |
| UNII (FDA) | BZQ96WX25F |
| Molecular Weight | 160.17 |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 160.07355886 |
| Monoisotopic Mass | 160.07355886 |
| Topological Polar Surface Area | 74.6 |
| Heavy Atom Count | 11 |
| Boiling Point | 342 |
|---|---|
| Boiling Point | 342.00 °C. @ 760.00 mm Hg |
| Melting Point | 106 |
| Melting Point | 103 - 106 °C |
| Solubility | 50000 |
| Solubility | 50.0 mg/mL |
| LogP | 0.61 |
| Dissociation Constants | 4.51 (at 25 °C) |
| Collision Cross Section | 140.2 Ų [M+Na]+ |
| Collision Cross Section | 134.7 Ų [M-2H+Na]- |
pimelic acid; Heptanedioic acid; 111-16-0; 1,5-Pentanedicarboxylic acid; Pileric acid; Heptandioic acid; DTXSID5021598; BZQ96WX25F; NSC-30112; DTXCID001598; CHEBI:30531; Acid, Pimelic; RefChem:863290; 203-840-8; pimelate; Heptane-1,7-dioic acid
| GHS notification summary | 3.9% (7 / 179) |
|---|
| GHS notification summary | 3.9% (7 / 179) |
|---|---|
| Reported hazard statements | H315 (27.9%), H319 (88.8%), H335 (87.2%) |
This chemical does not meet GHS hazard criteria for 3.9% (7 of 179) of reports.
H315 (27.9%): Causes skin irritation [Warning Skin corrosion/irritation]
Pimelic acid · CAS 111-16-0 · C7H12O4. UNII BZQ96WX25F. Boiling Point: 342; Boiling Point: 342.00 °C. @ 760.00 mm Hg; Melting Point: 106.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 庚二酸