2,2-Di-n-propylacetic acid（CAS 99-66-1）：分子式 C8H16O2、分子量 144.21；类别 有机化学品。
| CAS号 | 99-66-1 |
|---|---|
| 分子式 | C8H16O2 |
| 分子量 | 144.21 |
| 沸点 | 428 °F at 760 mmHg (NTP, 1992) |
| LogP | 2.8 |
| 应用领域 | Uses: Indicated as monotherapy and adjunctive therapy in the treatment of patients with complex partial seizures that occur in either isolation or association with other types of seizures、THERAPEUTIC CATEGORY (VETERINARY): Anticonvulsant、MEDICATION、Anticonvulsants、Antimanic Agents、Enzyme Inhibitors、GABA Agents、Use (kg) in Switzerland (2009): >7500、Use (kg、approx.) in Germany (2009): >75000、exact) in Germany (2009): 94896、Use (kg) in USA (2002): 229000、Use (kg) in France (2004): 112162、Consumption (g per capita) in Switzerland (2009): 0.96、Consumption (g per capita、approx.) in Germany (2009): 0.92、exact) in Germany (2009): 1.2、Consumption (g per capita) in the USA (2002): 0.81、Consumption (g per capita) in France (2004): 1.9、Excretion rate: 0.02、Calculated removal (%): 93.6、For treatment and management of seizure disorders、mania、and prophylactic treatment of migraine headache. In epileptics、valproic acid is used to control absence seizures、tonic-clonic seizures (grand mal)、complex partial seizures、and the seizures associated with Lennox-Gastaut syndrome (A308).、Use Classification: Pharmaceuticals、Methods of Manufacturing: Valproic acid may be synthesized from 4-heptanol by successive conversions to 4-bromoheptane with HBr、to 4-cyanoheptane with HCN and to 2-propyl pentanoic (valproic) acid by alkaline hydrolysis of the 4-cyanoheptane.、Ethyl cyanoacetate + n-propyl bromide (dehydrobromination、decarboxylation、nitrile hydrolysis).、Formulations、Preparations: Oral: Solution: 250 mg (of valproic acid) per 5 mL Depakene Syrup (with parabens)、(Abbott). Parenteral: Injection、for IV use: 100 mg (of valproic acid) per mL Depacon (with edetate disodium)、(Abbott)、Valproate Sodium Injection (with edetate disodium)、(Abraxis)、(Bedford).、Valproate sodium、Oral: Capsules、liquid-filled: 250 mg Depakene (with parabens)、(Abbott).、Oral: Capsules (containing coated particles): equivalent to valproic acid 125 mg Depakote Sprinkle、(Abbott). Tablets、delayed-release: equivalent to valproic acid 125 mg Depakote (with povidone)、equivalent to valproic acid 250 mg Depakote (with povidone)、equivalent to valproic acid 500 mg Depakote (with povidone)、extended-release: equivalent to valproic acid 250 mg Depakote ER、(Abbott) equivalent to valproic acid 500 mg Depakote ER、Divalproex sodium |
| 类别 | Organic Chemicals |
登记用途：Uses: Indicated as monotherapy and adjunctive therapy in the treatment of patients with complex partial seizures that occur in either isolation or association with other types of seizures、THERAPEUTIC CATEGORY (VETERINARY): Anticonvulsant、MEDICATION、Anticonvulsants、Antimanic Agents、Enzyme Inhibitors、GABA Agents、Use (kg) in Switzerland (2009): >7500、Use (kg、approx.) in Germany (2009): >75000、exact) in Germany (2009): 94896、Use (kg) in USA (2002): 229000、Use (kg) in France (2004): 112162、Consumption (g per capita) in Switzerland (2009): 0.96、Consumption (g per capita、approx.) in Germany (2009): 0.92、exact) in Germany (2009): 1.2、Consumption (g per capita) in the USA (2002): 0.81、Consumption (g per capita) in France (2004): 1.9、Excretion rate: 0.02、Calculated removal (%): 93.6、For treatment and management of seizure disorders、mania、and prophylactic treatment of migraine headache. In epileptics、valproic acid is used to control absence seizures、tonic-clonic seizures (grand mal)、complex partial seizures、and the seizures associated with Lennox-Gastaut syndrome (A308).、Use Classification: Pharmaceuticals、Methods of Manufacturing: Valproic acid may be synthesized from 4-heptanol by successive conversions to 4-bromoheptane with HBr、to 4-cyanoheptane with HCN and to 2-propyl pentanoic (valproic) acid by alkaline hydrolysis of the 4-cyanoheptane.、Ethyl cyanoacetate + n-propyl bromide (dehydrobromination、decarboxylation、nitrile hydrolysis).、Formulations、Preparations: Oral: Solution: 250 mg (of valproic acid) per 5 mL Depakene Syrup (with parabens)、(Abbott). Parenteral: Injection、for IV use: 100 mg (of valproic acid) per mL Depacon (with edetate disodium)、(Abbott)、Valproate Sodium Injection (with edetate disodium)、(Abraxis)、(Bedford).、Valproate sodium、Oral: Capsules、liquid-filled: 250 mg Depakene (with parabens)、(Abbott).、Oral: Capsules (containing coated particles): equivalent to valproic acid 125 mg Depakote Sprinkle、(Abbott). Tablets、delayed-release: equivalent to valproic acid 125 mg Depakote (with povidone)、equivalent to valproic acid 250 mg Depakote (with povidone)、equivalent to valproic acid 500 mg Depakote (with povidone)、extended-release: equivalent to valproic acid 250 mg Depakote ER、(Abbott) equivalent to valproic acid 500 mg Depakote ER、Divalproex sodium。
2,2-Di-n-propylacetic acid 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 99-66-1，分子式 C8H16O2（分子量 144.21），归属于有机化学品大类化工原料。
登记 CAS 号：99-66-1
其分子式 C8H16O2 由 8 个碳、16 个氢、2 个氧 组成。
别名/同义词：2,2-Di-n-propylacetic acid · Valproic acid
所属分类：有机化学品
2,2-Di-n-propylacetic acid 的 CAS 登记号为 99-66-1。
分子式 C8H16O2，分子量 144.21。
别名/同义词：2,2-Di-n-propylacetic acid、Valproic acid。
登记用途：Uses: Indicated as monotherapy and adjunctive therapy in the treatment of patients with complex partial seizures that occur in either isolation or association with other types of seizures、THERAPEUTIC CATEGORY (VETERINARY): Anticonvulsant、MEDICATION、Anticonvulsants、Antimanic Agents、Enzyme Inhibitors、GABA Agents、Use (kg) in Switzerland (2009): >7500、Use (kg、approx.) in Germany (2009): >75000、exact) in Germany (2009): 94896、Use (kg) in USA (2002): 229000、Use (kg) in France (2004): 112162、Consumption (g per capita) in Switzerland (2009): 0.96、Consumption (g per capita、approx.) in Germany (2009): 0.92、exact) in Germany (2009): 1.2、Consumption (g per capita) in the USA (2002): 0.81、Consumption (g per capita) in France (2004): 1.9、Excretion rate: 0.02、Calculated removal (%): 93.6、For treatment and management of seizure disorders、mania、and prophylactic treatment of migraine headache. In epileptics、valproic acid is used to control absence seizures、tonic-clonic seizures (grand mal)、complex partial seizures、and the seizures associated with Lennox-Gastaut syndrome (A308).、Use Classification: Pharmaceuticals、Methods of Manufacturing: Valproic acid may be synthesized from 4-heptanol by successive conversions to 4-bromoheptane with HBr、to 4-cyanoheptane with HCN and to 2-propyl pentanoic (valproic) acid by alkaline hydrolysis of the 4-cyanoheptane.、Ethyl cyanoacetate + n-propyl bromide (dehydrobromination、decarboxylation、nitrile hydrolysis).、Formulations、Preparations: Oral: Solution: 250 mg (of valproic acid) per 5 mL Depakene Syrup (with parabens)、(Abbott). Parenteral: Injection、for IV use: 100 mg (of valproic acid) per mL Depacon (with edetate disodium)、(Abbott)、Valproate Sodium Injection (with edetate disodium)、(Abraxis)、(Bedford).、Valproate sodium、Oral: Capsules、liquid-filled: 250 mg Depakene (with parabens)、(Abbott).、Oral: Capsules (containing coated particles): equivalent to valproic acid 125 mg Depakote Sprinkle、(Abbott). Tablets、delayed-release: equivalent to valproic acid 125 mg Depakote (with povidone)、equivalent to valproic acid 250 mg Depakote (with povidone)、equivalent to valproic acid 500 mg Depakote (with povidone)、extended-release: equivalent to valproic acid 250 mg Depakote ER、(Abbott) equivalent to valproic acid 500 mg Depakote ER、Divalproex sodium。
所属分类：Organic Chemicals。
2,2-Di-n-propylacetic acid（CAS 99-66-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 99-66-1 |
|---|---|
| PubChem CID | 3121 |
| Molecular formula | C8H16O2 |
| IUPAC name | 2-propylpentanoic acid |
| UNII (FDA) | 614OI1Z5WI |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 2.8 |
| 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 |
| Boiling Point | 428 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 222 |
| Boiling Point | 219.5 °C |
| Boiling Point | BP: 219 to 220 °C |
| Boiling Point | 222 °C |
| Flash Point | 232 °F (NTP, 1992) |
| Solubility | 1.3 |
| Solubility | In water, 2.0X10+3 mg/L at 20 °C |
| Solubility | 2 mg/mL at 20 °C |
| Density | 0.904 g/cu cm at 25 °C |
VALPROIC ACID; 2-Propylpentanoic acid; 99-66-1; 2-Propylvaleric acid; Dipropylacetic acid; Depakene; Depakine; Mylproin; Di-n-propylacetic acid; Propylvaleric acid; n-Dipropylacetic acid; 4-Heptanecarboxylic acid; Myproic Acid; Convulex; n-DPA; Acido valproico
| Reported hazard statements | H302 (100%), H315 (92.9%), H318 (12.7%), H319 (80.2%), H335 (31.7%), H360 (64.3%), H336, H362 |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]
2,2-Di-n-propylacetic acid · CAS 99-66-1 · C8H16O2. UNII 614OI1Z5WI. Boiling Point: 428 °F at 760 mmHg (NTP, 1992); Boiling Point: 222; Boiling Point: 219.5 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2,2-Di-n-propylacetic acid