isobutyl hydrogen phthalate (CAS 30833-53-5) — formula C12H14O4, molecular weight 222.24; category organic chemicals.
| CAS Number | 30833-53-5 |
|---|---|
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.24 |
| LogP | 2.5 |
| Applications | Uses: This is a natural compound that is used as a pesticide. |
| Category | Organic Chemicals |
Documented applications: Uses: This is a natural compound that is used as a pesticide..
isobutyl hydrogen phthalate is a carbon-based organic compound with CAS registry number 30833-53-5 and molecular formula C12H14O4 (molecular weight 222.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 30833-53-5
Its molecular formula C12H14O4 comprises 12 C, 14 H, 4 O atoms.
Also known as: isobutyl hydrogen phthalate · 邻苯二甲酸单异丁酯
Category: organic chemicals
The CAS registry number of isobutyl hydrogen phthalate is 30833-53-5.
Molecular formula C12H14O4, molecular weight 222.24.
It is also registered under: isobutyl hydrogen phthalate, 邻苯二甲酸单异丁酯.
Recorded applications: Uses: This is a natural compound that is used as a pesticide..
Category: Organic Chemicals.
Independent reference data for isobutyl hydrogen phthalate (CAS 30833-53-5), compiled from public chemistry databases.
| CAS 号 | 30833-53-5 |
|---|---|
| PubChem CID | 92272 |
| 分子式 | C12H14O4 |
| IUPAC 名称 | 2-(2-methylpropoxycarbonyl)benzoic acid |
| UNII（FDA） | K66VV25BGK |
| Molecular Weight | 222.24 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 222.08920892 |
| Monoisotopic Mass | 222.08920892 |
| Topological Polar Surface Area | 63.6 |
| Heavy Atom Count | 16 |
| Collision Cross Section | 163.43 Ų [M+Na]+ |
|---|---|
| Collision Cross Section | 151.83 Ų [M-H]- |
Monoisobutyl phthalate; 30833-53-5; MIBP; Isobutyl hydrogen phthalate; Mono-iso-butyl phthalate; Phthalic acid, monoisobutyl ester; 1,2-Benzenedicarboxylic acid, mono(2-methylpropyl) ester; K66VV25BGK; 3-09-00-04104 (Beilstein Handbook Reference); DTXSID5052701; CHEBI:90038; RefChem:1089829; DTXCID2031299; 250-352-6; 2-(Isobutoxycarbonyl)benzoic acid; Monoisobutyl phthalic acid
邻苯二甲酸单异丁酯 · CAS 30833-53-5 · C12H14O4. UNII K66VV25BGK. Collision Cross Section: 163.43 Ų [M+Na]+; Collision Cross Section: 151.83 Ų [M-H]-.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 邻苯二甲酸单异丁酯