tert-butylbenzoic acid (CAS 1320-16-7) — formula C11H14O2, molecular weight 178.23; category organic chemicals.
| CAS Number | 1320-16-7 |
|---|---|
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.23 |
| LogP | 3.8 |
| Category | Organic Chemicals |
tert-butylbenzoic acid is a carbon-based organic compound with CAS registry number 1320-16-7 and molecular formula C11H14O2 (molecular weight 178.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1320-16-7
Its molecular formula C11H14O2 comprises 11 C, 14 H, 2 O atoms.
Also known as: tert-butylbenzoic acid · 叔丁基苯甲酸
Category: organic chemicals
The CAS registry number of tert-butylbenzoic acid is 1320-16-7.
Molecular formula C11H14O2, molecular weight 178.23.
It is also registered under: tert-butylbenzoic acid, 叔丁基苯甲酸.
Category: Organic Chemicals.
Independent reference data for tert-butylbenzoic acid (CAS 1320-16-7), compiled from public chemistry databases.
| CAS Registry Number | 1320-16-7 |
|---|---|
| PubChem CID | 136850 |
| Molecular formula | C11H14O2 |
| IUPAC name | 2-tert-butylbenzoic acid |
| UNII (FDA) | 10J83R40WM |
| Molecular Weight | 178.23 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 178.099379685 |
| Monoisotopic Mass | 178.099379685 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 13 |
2-(tert-Butyl)benzoic acid; tert-Butylbenzoic acid; Benzoic acid, (1,1-dimethylethyl)-; 1320-16-7; UGL7Q68L1S; EINECS 215-299-5; RefChem:896545; Benzoic acid, tert-butyl-; 215-299-5; 630-163-9; 2-tert-Butylbenzoic acid; 1077-58-3; o-tert-butylbenzoic acid; 2-(1,1-dimethylethyl)benzoic acid; MFCD09258829; UNII-10J83R40WM
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS |
|---|
| Reported hazard statements | H302 (100%), H312 (100%), H332 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
tert-butylbenzoic acid · CAS 1320-16-7 · C11H14O2. UNII 10J83R40WM.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 叔丁基苯甲酸