p-Anisaldehyde (CAS 123-11-5) — formula C8H8O2, molecular weight 136.05 g/mol.
p-Anisaldehyde is a chemical compound with CAS registry number 123-11-5 and molecular formula C8H8O2 (molecular weight 136.05 g/mol).
CAS number: 123-11-5
Its molecular formula C8H8O2 comprises 8 C, 8 H, 2 O atoms.
Also known as: p-Anisaldehyde · Anisaldehyde
The CAS registry number of p-Anisaldehyde is 123-11-5.
Molecular formula C8H8O2, molecular weight 136.05 g/mol.
It is also registered under: p-Anisaldehyde, Anisaldehyde.
Public-database records for p-Anisaldehyde (CAS 123-11-5), reproduced here for independent cross-checking.
| GHS notification summary | 57% (2268 / 3980) |
|---|---|
| Reported hazard statements | H302 (40.1%), H361 |
This chemical does not meet GHS hazard criteria for 57% (2268 of 3980) of all reports.
H302 (40.1%): Harmful if swallowed [Warning Acute toxicity, oral]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Almond, Anise, Mint No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 57% (2268 / 3980) |
| 沸点 | 255 °C |
|---|---|
| 沸点 | 248.00 to 249.00 °C. @ 760.00 mm Hg |
| 沸点 | 248 °C |
| 熔点 | 0 °C |
| 闪点 | 116 °C (241 °F) - closed cup |
| 溶解度 | In water, 4.29X10+3 mg/L at 25 °C |
| 溶解度 | 4.29 mg/mL at 25 °C |
| 密度 | 1.1191 g/cu cm at 15 °C |
| 密度 | 1.115-1.123 |
| Vapor 密度 | 4.7 (Air = 1) |
| CAS Registry Number | 123-11-5 |
|---|---|
| PubChem CID | 31244 |
| 分子式 | C8H8O2 |
| 分子量 | 136.05 g/mol |
| IUPAC 名称 | 4-methoxybenzaldehyde |
| InChIKey | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
| UNII(FDA) | 9PA5V6656V |
| ChEBI 编号 | CHEBI:28235 |
| FEMA 编号 | 2670 |
| JECFA 编号 | 878 |
4-Methoxybenzaldehyde; 123-11-5; P-ANISALDEHYDE; Anisaldehyde; p-Methoxybenzaldehyde; 4-Anisaldehyde; Benzaldehyde, 4-methoxy-; Crategine; p-Formylanisole; Obepin; p-Anisic aldehyde; para-anisaldehyde; 4-Methoxy-benzaldehyde; FEMA No. 2670; DTXSID2026997; 9PA5V6656V
| 分子量 | 136.15 |
|---|---|
| XLogP3 | 1.8 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 2 |
| 精确质量 | 136.052429494 |
| 单同位素质量 | 136.052429494 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
p-Anisaldehyde is identified by CAS 123-11-5, molecular formula C8H8O2 and molecular weight 136.05 g/mol. UNII 9PA5V6656V; ChEBI 28235; InChIKey ZRSNZINYAWTAHE-UHFFFAOYSA-N. 沸点: 255 °C; 沸点: 248.00 to 249.00 °C. @ 760.00 mm Hg; 沸点: 248 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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