2-正丙基苯酚（CAS 644-35-9）：分子式 C9H12O、分子量 136.19。
| CAS号 | 644-35-9 |
|---|---|
| 分子式 | C9H12O |
| 分子量 | 136.19 |
| 熔点 | 7 °C |
| 沸点 | 224.00 to 226.00 °C. @ 760.00 mm Hg |
| LogP | 2.93 |
| 应用领域 | Fragrance Ingredients |
登记用途：Fragrance Ingredients。
2-正丙基苯酚 是一种化工化合物，登记 CAS 号为 644-35-9，分子式 C9H12O（分子量 136.19）。
登记 CAS 号：644-35-9
其分子式 C9H12O 由 9 个碳、12 个氢、1 个氧 组成。
别名/同义词：2-正丙基苯酚 · 2-Propylphenol
2-正丙基苯酚 的 CAS 登记号为 644-35-9。
分子式 C9H12O，分子量 136.19。
别名/同义词：2-正丙基苯酚、2-Propylphenol。
登记用途：Fragrance Ingredients。
2-正丙基苯酚（CAS 644-35-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 644-35-9 |
|---|---|
| PubChem CID | 12570 |
| Molecular formula | C9H12O |
| Molecular weight | 136.09 g/mol |
| IUPAC name | 2-propylphenol |
| InChIKey | LCHYEKKJCUJAKN-UHFFFAOYSA-N |
| UNII (FDA) | 333R6F6T3N |
| ChEBI ID | CHEBI:147331 |
| FEMA number | 3522 |
| JECFA number | 695 |
| Molecular Weight | 136.19 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 136.088815002 |
| Monoisotopic Mass | 136.088815002 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 10 |
| Boiling Point | 224.00 to 226.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 224 °C |
| Melting Point | 7 °C |
| Density | 0.988-0.996 |
| LogP | 2.93 |
| Refractive Index | 1.524-1.528 |
2-PROPYLPHENOL; 2-n-Propylphenol; 644-35-9; o-Propylphenol; Phenol, 2-propyl-; Phenol, o-propyl-; 1-Hydroxy-2-n-propylbenzene; 1-(2-Hydroxyphenyl)propane; FEMA No. 3522; DTXSID9047702; NSC-65646; 333R6F6T3N; DTXCID7027700; CHEBI:147331; RefChem:89328; 211-415-3
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (100%), H312 (22.1%), H315 (16.3%), H319 (16.3%), H332 (16.3%), H335 (16.3%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (22.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
o-Propylphenol is identified by CAS 644-35-9, molecular formula C9H12O and molecular weight 136.09 g/mol. UNII 333R6F6T3N; ChEBI 147331; InChIKey LCHYEKKJCUJAKN-UHFFFAOYSA-N. Boiling Point: 224.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 224 °C; Melting Point: 7 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Propylphenol