新戊酸（CAS 75-98-9）：分子式 C5H10O2、分子量 102.13；类别 医药中间体。
| CAS号 | 75-98-9 |
|---|---|
| 分子式 | C5H10O2 |
| 分子量 | 102.13 |
| 熔点 | 35.5 °C |
| 沸点 | 325 to 327 °F at 760 mmHg (USCG, 1999) |
| LogP | 1.5 |
| 应用领域 | Uses: Used to make pharmaceuticals and as a veterinary medication、[HSDB] Also used to make other organic chemicals、as an additive to gasoline and aviation fuel、in gas permeable membranes、and in optical materials (plastic lenses and coating applications)、[CHEMINFO]、Petroleum Production and Refining [Category: Industry]、Painting (Pigments、Binders、and Biocides) [Category: Paint]、Intermediate、as a replacement for some natural materials、... finds numerous uses in the production of polymers and resins、pharmaceuticals、agricultural chemicals、cosmetics、fuels、lubricants and transmission fluids.、Prodrug ... to improve the bioavailability of therapeutic candidates.、MEDICATION (VET)、Industry Uses: Intermediate、Consumer Uses: Not Known or Reasonably Ascertainable、Methods of Manufacturing: Prepared by the reaction of tert-butylmagnesium chloride and carbon dioxide.、From isobutylene or diisobutylene with carbon monoxide and water at a temperature below 100 °C and elevated carbon monoxide pressure.、The Koch-Haaf reaction can be used to prepare trimethylacetic acid from 2-methyl-1-propanol and 2-methyl-2-propanol by the addition of carbon monoxide in the presence of sulfuric acid. With readily available 2-methyl-1-propanol (isobutanol) from the oxo synthesis、trimethylacetic acid can be obtained in 89% yield.、Formulations、Preparations: >99% pure、U.S. Production: 2023: 1、000、000 - <2、500、000 lb、2022: 4、000 - <5、2021: 5、000 - <7、2020: 8、000 - <10、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5273]、2、2-Dimethylpropanoic acid is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and、or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B、51FR21438).、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Pesticide、Fertilizer、and Other Agricultural Chemical Manufacturing、Propanoic acid、2-dimethyl-: ACTIVE |
| 类别 | 医药中间体 |
登记用途：Uses: Used to make pharmaceuticals and as a veterinary medication、[HSDB] Also used to make other organic chemicals、as an additive to gasoline and aviation fuel、in gas permeable membranes、and in optical materials (plastic lenses and coating applications)、[CHEMINFO]、Petroleum Production and Refining [Category: Industry]、Painting (Pigments、Binders、and Biocides) [Category: Paint]、Intermediate、as a replacement for some natural materials、... finds numerous uses in the production of polymers and resins、pharmaceuticals、agricultural chemicals、cosmetics、fuels、lubricants and transmission fluids.、Prodrug ... to improve the bioavailability of therapeutic candidates.、MEDICATION (VET)、Industry Uses: Intermediate、Consumer Uses: Not Known or Reasonably Ascertainable、Methods of Manufacturing: Prepared by the reaction of tert-butylmagnesium chloride and carbon dioxide.、From isobutylene or diisobutylene with carbon monoxide and water at a temperature below 100 °C and elevated carbon monoxide pressure.、The Koch-Haaf reaction can be used to prepare trimethylacetic acid from 2-methyl-1-propanol and 2-methyl-2-propanol by the addition of carbon monoxide in the presence of sulfuric acid. With readily available 2-methyl-1-propanol (isobutanol) from the oxo synthesis、trimethylacetic acid can be obtained in 89% yield.、Formulations、Preparations: >99% pure、U.S. Production: 2023: 1、000、000 - <2、500、000 lb、2022: 4、000 - <5、2021: 5、000 - <7、2020: 8、000 - <10、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5273]、2、2-Dimethylpropanoic acid is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and、or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B、51FR21438).、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Pesticide、Fertilizer、and Other Agricultural Chemical Manufacturing、Propanoic acid、2-dimethyl-: ACTIVE。
新戊酸 是一种化工化合物，登记 CAS 号为 75-98-9，分子式 C5H10O2（分子量 102.13），归属于医药中间体大类化工原料。
登记 CAS 号：75-98-9
其分子式 C5H10O2 由 5 个碳、10 个氢、2 个氧 组成。
别名/同义词：新戊酸 · Pivalic Acid
所属分类：医药中间体
新戊酸 的 CAS 登记号为 75-98-9。
分子式 C5H10O2，分子量 102.13。
别名/同义词：新戊酸、Pivalic Acid。
登记用途：Uses: Used to make pharmaceuticals and as a veterinary medication、[HSDB] Also used to make other organic chemicals、as an additive to gasoline and aviation fuel、in gas permeable membranes、and in optical materials (plastic lenses and coating applications)、[CHEMINFO]、Petroleum Production and Refining [Category: Industry]、Painting (Pigments、Binders、and Biocides) [Category: Paint]、Intermediate、as a replacement for some natural materials、... finds numerous uses in the production of polymers and resins、pharmaceuticals、agricultural chemicals、cosmetics、fuels、lubricants and transmission fluids.、Prodrug ... to improve the bioavailability of therapeutic candidates.、MEDICATION (VET)、Industry Uses: Intermediate、Consumer Uses: Not Known or Reasonably Ascertainable、Methods of Manufacturing: Prepared by the reaction of tert-butylmagnesium chloride and carbon dioxide.、From isobutylene or diisobutylene with carbon monoxide and water at a temperature below 100 °C and elevated carbon monoxide pressure.、The Koch-Haaf reaction can be used to prepare trimethylacetic acid from 2-methyl-1-propanol and 2-methyl-2-propanol by the addition of carbon monoxide in the presence of sulfuric acid. With readily available 2-methyl-1-propanol (isobutanol) from the oxo synthesis、trimethylacetic acid can be obtained in 89% yield.、Formulations、Preparations: >99% pure、U.S. Production: 2023: 1、000、000 - <2、500、000 lb、2022: 4、000 - <5、2021: 5、000 - <7、2020: 8、000 - <10、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5273]、2、2-Dimethylpropanoic acid is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and、or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B、51FR21438).、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Pesticide、Fertilizer、and Other Agricultural Chemical Manufacturing、Propanoic acid、2-dimethyl-: ACTIVE。
所属分类：医药中间体。
新戊酸（CAS 75-98-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 75-98-9 |
|---|---|
| PubChem CID | 6417 |
| Molecular formula | C5H10O2 |
| IUPAC name | 2,2-dimethylpropanoic acid |
| UNII (FDA) | 813RE8BX41 |
| Molecular Weight | 102.13 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 102.068079557 |
| Monoisotopic Mass | 102.068079557 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 7 |
| Boiling Point | 325 to 327 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 163.8 °C |
| Boiling Point | 164.00 °C. @ 760.00 mm Hg |
| Boiling Point | 164 °C |
| Boiling Point | 163.8 °C @760 [mm Hg] |
| Melting Point | 35.5 °C |
| Melting Point | 35 °C |
| Melting Point | 36 °C |
| Flash Point | 147.2 °F (USCG, 1999) |
| Flash Point | 64 °C |
Pivalic acid; 75-98-9; Trimethylacetic acid; 2,2-DIMETHYLPROPANOIC ACID; 2,2-Dimethylpropionic acid; Neopentanoic acid; tert-Pentanoic acid; Propanoic acid, 2,2-dimethyl-; Versatic 5; Kyselina pivalova; alpha,alpha-Dimethylpropionic acid; 2,2-dimethyl-propanoic acid; DTXSID8026432; 813RE8BX41; NSC-65449; DTXCID106432
| Reported hazard statements | H302 (100%), H312 (18.8%), H314 (18.4%), H315 (81.6%), H319 (81.2%), H332 (18.4%), H336, H371 |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (18.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Pivalic Acid · CAS 75-98-9 · C5H10O2. UNII 813RE8BX41. Boiling Point: 325 to 327 °F at 760 mmHg (USCG, 1999); Boiling Point: 163.8 °C; Boiling Point: 164.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Pivalic Acid