反式-1,4-环己烷二甲酸二甲酯(CAS 3399-22-2):分子式 C10H16O4、分子量 200.23。
| CAS号 | 3399-22-2 |
|---|---|
| 分子式 | C10H16O4 |
| 分子量 | 200.23 |
| 沸点 | 265 °C (mixed isomer) |
| LogP | 1.1 |
反式-1,4-环己烷二甲酸二甲酯 是一种化工化合物,登记 CAS 号为 3399-22-2,分子式 C10H16O4(分子量 200.23)。
登记 CAS 号:3399-22-2
其分子式 C10H16O4 由 10 个碳、16 个氢、4 个氧 组成。
别名/同义词:反式-1,4-环己烷二甲酸二甲酯 · Dimethyl trans-1,4-cyclohexanedicarboxylate
反式-1,4-环己烷二甲酸二甲酯 的 CAS 登记号为 3399-22-2。
分子式 C10H16O4,分子量 200.23。
别名/同义词:反式-1,4-环己烷二甲酸二甲酯、Dimethyl trans-1,4-cyclohexanedicarboxylate。
反式-1,4-环己烷二甲酸二甲酯(CAS 3399-22-2)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 3399-22-2 |
|---|---|
| PubChem CID | 7198 |
| Molecular formula | C10H16O4 |
| IUPAC name | dimethyl cyclohexane-1,4-dicarboxylate |
| UNII (FDA) | YS87MDS0ZV |
| Molecular Weight | 200.23 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 200.10485899 |
| Monoisotopic Mass | 200.10485899 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 14 |
| Boiling Point | 265 °C (mixed isomer) |
|---|---|
| Solubility | In water, 12,000 mg/L at 25 °C |
| Density | Density: 1.095 - 1.097 g/cu cm at 30 °C |
| Vapor Density | 6.91 (Air = 1) |
| Vapor Pressure | 0.08 [mmHg] |
| Heat of Combustion | -4.921X10+9 J/kmol |
Dimethyl 1,4-cyclohexanedicarboxylate; Dimethyl cyclohexane-1,4-dicarboxylate; DIMETHYL HEXAHYDROTEREPHTHALATE; DMCHDC; HSDB 5284; UNII-TF036NGH12; EINECS 202-347-5; AI3-28580; DTXSID3026566; EC 202-347-5; DTXCID806566; 1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester; EASTMAN DMCD; RefChem:134201; hexahydrodimethyl terephthalate; dimethyl 1,4cyclohexanedicarboxylate
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS DIMETHYL 1,4-CYCLOHEXANEDICARBOXYLATE (CIS & TRANS) |
|---|---|
| GHS notification summary | 38.3% (36 / 94) |
| GHS notification summary | 38.3% (36 / 94) |
|---|---|
| Reported hazard statements | H319 (61.7%), H315 (100%), H412 (100%) |
This chemical does not meet GHS hazard criteria for 38.3% (36 of 94) of reports.
H319 (61.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Dimethyl trans-1,4-cyclohexanedicarboxylate · CAS 3399-22-2 · C10H16O4. UNII YS87MDS0ZV. Boiling Point: 265 °C (mixed isomer); Solubility: In water, 12,000 mg/L at 25 °C; Density: Density: 1.095 - 1.097 g/cu cm at 30 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Dimethyl trans-1,4-cyclohexanedicarboxylate