异丁子香酚(CAS 97-54-1):分子式 C10H12O2、分子量 164.20。
| CAS号 | 97-54-1 |
|---|---|
| 分子式 | C10H12O2 |
| 分子量 | 164.20 |
| 熔点 | 14 °F (NTP, 1992) |
| 沸点 | 511 °F at 760 mmHg (NTP, 1992) |
| LogP | 2.6 |
异丁子香酚 是一种化工化合物,登记 CAS 号为 97-54-1,分子式 C10H12O2(分子量 164.20)。
登记 CAS 号:97-54-1
其分子式 C10H12O2 由 10 个碳、12 个氢、2 个氧 组成。
别名/同义词:异丁子香酚 · Isoeugenol
异丁子香酚 的 CAS 登记号为 97-54-1。
分子式 C10H12O2,分子量 164.20。
别名/同义词:异丁子香酚、Isoeugenol。
异丁子香酚(CAS 97-54-1)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 97-54-1 |
|---|---|
| PubChem CID | 853433 |
| Molecular formula | C10H12O2 |
| IUPAC name | 2-methoxy-4-[(E)-prop-1-enyl]phenol |
| UNII (FDA) | 28FSR1NAY4 |
| FEMA number | 2468 |
| JECFA number | 1260 |
| Molecular Weight | 164.20 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 164.083729621 |
| Monoisotopic Mass | 164.083729621 |
| Topological Polar Surface Area | 29.5 |
| Heavy Atom Count | 12 |
| Boiling Point | 511 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 266 °C |
| Boiling Point | 125.00 to 126.00 °C. @ 14.00 mm Hg |
| Melting Point | 14 °F (NTP, 1992) |
| Melting Point | -10 °C |
| Flash Point | 235 °F (NTP, 1992) |
| Flash Point | 235 °F |
| Flash Point | >212 °F(>100 °C)(closed cup) |
| Solubility | In water, 810 mg/L at 25 °C |
| Density | 1.080 g/cu cm at 25 °C |
Isoeugenol; 97-54-1; 4-Propenylguaiacol; 2-Methoxy-4-propenylphenol; 2-methoxy-4-(prop-1-en-1-yl)phenol; 4-Hydroxy-3-methoxy-1-propenylbenzene; 2-METHOXY-4-(1-PROPENYL)PHENOL; 4-Hydroxy-3-methoxypropenylbenzene; Phenol, 2-methoxy-4-propenyl-; Phenol, 2-methoxy-4-(1-propenyl)-; 2-methoxy-4-[(E)-prop-1-enyl]phenol; 1-Hydroxy-2-methoxy-4-propen-1-ylbenzene; 3-Methoxy-4-hydroxypropenylbenzene; NCI-C60979; 3-Methoxy-4-hydroxy-1-propen-1-ylbenzene; FEMA No. 2468
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Flower, Fragrant No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1995) |
| GHS notification summary | 0.1% (1 / 1995) |
|---|---|
| Reported hazard statements | H317, H302 (99.5%), H312 (96.4%), H315 (99.5%), H319 (98.9%), H335 (10.9%), H332 (37.7%), H371 |
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Isoeugenol · CAS 97-54-1 · C10H12O2. UNII 28FSR1NAY4. Boiling Point: 511 °F at 760 mmHg (NTP, 1992); Boiling Point: 266 °C; Boiling Point: 125.00 to 126.00 °C. @ 14.00 mm Hg.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Isoeugenol