邻苯二甲酸氢丁酯（CAS 131-70-4）：分子式 C12H14O4、分子量 222.24。
| CAS号 | 131-70-4 |
|---|---|
| 分子式 | C12H14O4 |
| 分子量 | 222.24 |
| 熔点 | 73.5 °C |
| LogP | 3.1 |
| 应用领域 | Uses: This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions、catabolic reactions or waste generation.、General Manufacturing Information: 1、2-Benzenedicarboxylic acid、1-butyl ester: ACTIVE |
登记用途：Uses: This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions、catabolic reactions or waste generation.、General Manufacturing Information: 1、2-Benzenedicarboxylic acid、1-butyl ester: ACTIVE。
邻苯二甲酸氢丁酯 是一种化工化合物，登记 CAS 号为 131-70-4，分子式 C12H14O4（分子量 222.24）。
登记 CAS 号：131-70-4
其分子式 C12H14O4 由 12 个碳、14 个氢、4 个氧 组成。
别名/同义词：邻苯二甲酸氢丁酯 · Butyl Hydrogen Phthalate
邻苯二甲酸氢丁酯 的 CAS 登记号为 131-70-4。
分子式 C12H14O4，分子量 222.24。
别名/同义词：邻苯二甲酸氢丁酯、Butyl Hydrogen Phthalate。
登记用途：Uses: This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions、catabolic reactions or waste generation.、General Manufacturing Information: 1、2-Benzenedicarboxylic acid、1-butyl ester: ACTIVE。
邻苯二甲酸氢丁酯（CAS 131-70-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 131-70-4 |
|---|---|
| PubChem CID | 8575 |
| Molecular formula | C12H14O4 |
| IUPAC name | 2-butoxycarbonylbenzoic acid |
| UNII (FDA) | ZI46LWZ45G |
| Molecular Weight | 222.24 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 222.08920892 |
| Monoisotopic Mass | 222.08920892 |
| Topological Polar Surface Area | 63.6 |
| Heavy Atom Count | 16 |
| Melting Point | 73.5 °C |
|---|---|
| Collision Cross Section | 163.94 Ų [M+Na]+ |
| Collision Cross Section | 151.11 Ų [M-H]- |
MONOBUTYL PHTHALATE; 131-70-4; 2-(Butoxycarbonyl)benzoic acid; Butyl hydrogen phthalate; Mono-n-butyl phthalate; Monobutylphthalate; Phthalic acid, monobutyl ester; 1,2-Benzenedicarboxylic acid, monobutyl ester; DTXSID4040002; 1,2-Benzenedicarboxylic acid, 1-butyl ester; ZI46LWZ45G; NSC-8479; DTXCID2020002; RefChem:819272; 205-036-2; 2-butoxycarbonylbenzoic acid
| Reported hazard statements | H360 (97.6%) |
|---|
H360 (97.6%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Butyl Hydrogen Phthalate · CAS 131-70-4 · C12H14O4. UNII ZI46LWZ45G. Melting Point: 73.5 °C; Collision Cross Section: 163.94 Ų [M+Na]+; Collision Cross Section: 151.11 Ų [M-H]-.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Butyl Hydrogen Phthalate