[2,2-bis(hydroxymethyl)butyl] hydrogen adipate (CAS 20563-11-5) — formula C12H22O6, molecular weight 262.30; category organic chemicals.
| CAS Number | 20563-11-5 |
|---|---|
| Molecular Formula | C12H22O6 |
| Molecular Weight | 262.30 |
| LogP | -0.1 |
| Category | Organic Chemicals |
[2,2-bis(hydroxymethyl)butyl] hydrogen adipate is a carbon-based organic compound with CAS registry number 20563-11-5 and molecular formula C12H22O6 (molecular weight 262.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 20563-11-5
Its molecular formula C12H22O6 comprises 12 C, 22 H, 6 O atoms.
Also known as: [2,2-bis(hydroxymethyl)butyl] hydrogen adipate · [2,2-双(羟甲基)丁基]己二酸氢酯
Category: organic chemicals
The CAS registry number of [2,2-bis(hydroxymethyl)butyl] hydrogen adipate is 20563-11-5.
Molecular formula C12H22O6, molecular weight 262.30.
It is also registered under: [2,2-bis(hydroxymethyl)butyl] hydrogen adipate, [2,2-双(羟甲基)丁基]己二酸氢酯.
Category: Organic Chemicals.
Independent reference data for [2,2-bis(hydroxymethyl)butyl] hydrogen adipate (CAS 20563-11-5), compiled from public chemistry databases.
| CAS 号 | 20563-11-5 |
|---|---|
| PubChem CID | 88594 |
| 分子式 | C12H22O6 |
| IUPAC 名称 | 6-[2,2-bis(hydroxymethyl)butoxy]-6-oxohexanoic acid |
| UNII（FDA） | 3GP6NMG88J |
| Molecular Weight | 262.30 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 262.14163842 |
| Monoisotopic Mass | 262.14163842 |
| Topological Polar Surface Area | 104 |
| Heavy Atom Count | 18 |
20563-11-5; (2,2-Bis(hydroxymethyl)butyl) hydrogen adipate; 6-[2,2-bis(hydroxymethyl)butoxy]-6-oxohexanoic acid; [2,2-bis(hydroxymethyl)butyl] hydrogen adipate; EINECS 243-881-9; 3GP6NMG88J; [2,2-bis-(Hydroxymethyl)butyl] hydrogen adipate; SCHEMBL1104240; DTXSID70174565; VQYGZOOQRFNLFW-UHFFFAOYSA-N; NS00026684; Hexanedioic acid, 1-[2,2-bis(hydroxymethyl)butyl] ester
[2,2-双(羟甲基)丁基]己二酸氢酯 · CAS 20563-11-5 · C12H22O6. UNII 3GP6NMG88J.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [2,2-双(羟甲基)丁基]己二酸氢酯