间苯二甲酸(CAS 121-91-5):分子式 C8H6O4、分子量 166.13。
| CAS号 | 121-91-5 |
|---|---|
| 分子式 | C8H6O4 |
| 分子量 | 166.13 |
| 熔点 | 653 °F (USCG, 1999) |
| LogP | log Kow = 1.66 |
间苯二甲酸 是一种化工化合物,登记 CAS 号为 121-91-5,分子式 C8H6O4(分子量 166.13)。
登记 CAS 号:121-91-5
其分子式 C8H6O4 由 8 个碳、6 个氢、4 个氧 组成。
别名/同义词:间苯二甲酸 · Isophthalic acid
间苯二甲酸 的 CAS 登记号为 121-91-5。
分子式 C8H6O4,分子量 166.13。
别名/同义词:间苯二甲酸、Isophthalic acid。
间苯二甲酸(CAS 121-91-5)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 121-91-5 |
|---|---|
| PubChem CID | 8496 |
| Molecular formula | C8H6O4 |
| IUPAC name | benzene-1,3-dicarboxylic acid |
| UNII (FDA) | X35216H9FJ |
| Molecular Weight | 166.13 |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 166.02660867 |
| Monoisotopic Mass | 166.02660867 |
| Topological Polar Surface Area | 74.6 |
| Heavy Atom Count | 12 |
| Melting Point | 653 °F (USCG, 1999) |
|---|---|
| Melting Point | 347 °C |
| Melting Point | 345-348 °C |
| Density | 1.53 at 4 °C |
| Density | 1.507 @ 20°C |
| Vapor Pressure | 0.00000002 [mmHg] |
| Vapor Pressure | VP: 0.009 Pa (0.0675 mm Hg) at 100 °C |
| Vapor Pressure | 0.068 [mm Hg] @100 °C |
| LogP | log Kow = 1.66 |
| LogP | 1.66 |
ISOPHTHALIC ACID; 121-91-5; Benzene-1,3-dicarboxylic acid; 1,3-Benzenedicarboxylic acid; m-Phthalic acid; m-Benzenedicarboxylic acid; Acide isophtalique; Kyselina isoftalova; DTXSID3021485; X35216H9FJ; NSC-15310; DTXCID301485; CHEBI:30802; benzene-1,3-dicarboxylate;hydron; RefChem:7642; 204-506-4
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS Isophthalic acid (CAS Reg. No. 121-91-5) As a monomer in the manufacture of ethylene terephthalate-isophthalate copolymers. As a monomer in the manufacture of ethylene terephthalate-isophthalate copolymers, except for use in contact w |
|---|---|
| GHS notification summary | 91% (614 / 675) |
| GHS notification summary | 91% (614 / 675) |
|---|
This chemical does not meet GHS hazard criteria for 91% (614 of 675) of all reports.
Reported as not meeting GHS hazard criteria by 614 of 675 companies (only 9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Isophthalic acid · CAS 121-91-5 · C8H6O4. UNII X35216H9FJ. Melting Point: 653 °F (USCG, 1999); Melting Point: 347 °C; Melting Point: 345-348 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Isophthalic acid