环己基甲酸(CAS 98-89-5):分子式 C7H12O2、分子量 128.17。
| CAS号 | 98-89-5 |
|---|---|
| 分子式 | C7H12O2 |
| 分子量 | 128.17 |
| 熔点 | 31 - 32 °C |
| 沸点 | 232.00 to 233.00 °C. @ 760.00 mm Hg |
| LogP | 1.96 |
环己基甲酸 是一种化工化合物,登记 CAS 号为 98-89-5,分子式 C7H12O2(分子量 128.17)。
登记 CAS 号:98-89-5
其分子式 C7H12O2 由 7 个碳、12 个氢、2 个氧 组成。
别名/同义词:环己基甲酸 · Cyclohexanecarboxylic acid
环己基甲酸 的 CAS 登记号为 98-89-5。
分子式 C7H12O2,分子量 128.17。
别名/同义词:环己基甲酸、Cyclohexanecarboxylic acid。
环己基甲酸(CAS 98-89-5)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 98-89-5 |
|---|---|
| PubChem CID | 7413 |
| Molecular formula | C7H12O2 |
| Molecular weight | 128.08 g/mol |
| IUPAC name | cyclohexanecarboxylic acid |
| InChIKey | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| UNII (FDA) | H9VKD9VL18 |
| ChEBI ID | CHEBI:36096 |
| FEMA number | 3531 |
| JECFA number | 961 |
| Molecular Weight | 128.17 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 128.083729621 |
| Monoisotopic Mass | 128.083729621 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 9 |
| Boiling Point | 232.00 to 233.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 232-233 °C |
| Melting Point | 31 - 32 °C |
| Solubility | 4.6 mg/mL at 25 °C |
| Density | 1.029-1.037 |
| Vapor Pressure | 0.03 [mmHg] |
| LogP | 1.96 |
| Refractive Index | 1.516-1.520 |
CYCLOHEXANECARBOXYLIC ACID; 98-89-5; Hexahydrobenzoic acid; Carboxycyclohexane; Cyclohexanoic acid; Cyclohexylcarboxylic acid; Benzoic acid, hexahydro-; Cyclohexylmethanoic acid; Cyclohexylformic acid; Cyclohexancarbonsaeure; FEMA No. 3531; H9VKD9VL18; NSC-452; DTXSID8059180; CHEBI:36096; RefChem:919389
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 34.2% (90 / 263) |
| GHS notification summary | 34.2% (90 / 263) |
|---|---|
| Reported hazard statements | H315 (65.4%), H318 (16%), H319 (47.1%), H335 (18.3%) |
This chemical does not meet GHS hazard criteria for 34.2% (90 of 263) of reports.
H315 (65.4%): Causes skin irritation [Warning Skin corrosion/irritation]
Cyclohexanecarboxylic acid is identified by CAS 98-89-5, molecular formula C7H12O2 and molecular weight 128.08 g/mol. UNII H9VKD9VL18; ChEBI 36096; InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N. Boiling Point: 232.00 to 233.00 °C. @ 760.00 mm Hg; Boiling Point: 232-233 °C; Melting Point: 31 - 32 °C.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Cyclohexanecarboxylic acid