3-Hexenoic acid（CAS 1577-18-0）：分子式 C6H10O2、分子量 114.07 g/mol。
| CAS号 | 1577-18-0 |
|---|---|
| 分子式 | C6H10O2 |
| 分子量 | 114.07 g/mol |
| LogP | 1.2 |
3-Hexenoic acid 是一种化工化合物，登记 CAS 号为 1577-18-0，分子式 C6H10O2（分子量 114.07 g/mol）。
登记 CAS 号：1577-18-0
其分子式 C6H10O2 由 6 个碳、10 个氢、2 个氧 组成。
别名/同义词：3-Hexenoic acid · trans-3-hexenoic acid
3-Hexenoic acid 的 CAS 登记号为 1577-18-0。
分子式 C6H10O2，分子量 114.07 g/mol。
别名/同义词：3-Hexenoic acid、trans-3-hexenoic acid。
3-Hexenoic acid（CAS 1577-18-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 1577-18-0 |
|---|---|
| PubChem CID | 5282708 |
| Molecular formula | C6H10O2 |
| Molecular weight | 114.07 g/mol |
| IUPAC name | (E)-hex-3-enoic acid |
| InChIKey | XXHDAWYDNSXJQM-ONEGZZNKSA-N |
| UNII (FDA) | 9B3N069EDG |
| ChEBI ID | CHEBI:49285 |
| FEMA number | 3170 |
| JECFA number | 317 |
| Molecular Weight | 114.14 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 114.068079557 |
| Monoisotopic Mass | 114.068079557 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 8 |
trans-3-Hexenoic acid; 1577-18-0; 3-Hexenoic acid, (3E)-; (E)-3-Hexenoic acid; trans-Hex-3-enoic acid; 3-Hexenoic acid, (E)-; FEMA No. 3170; 9B3N069EDG; NSC-26715; CHEBI:49285; RefChem:1100232; 216-417-8; (E)-hex-3-enoic acid; Hydrosorbic acid; 3-HEXENOIC ACID; (3E)-hex-3-enoic acid
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 891-JECFA 51/68 FAS 42-JECFA 51/267 |
|---|---|
| GHS notification summary | 0.1% (2 / 1372) |
| GHS notification summary | 0.1% (2 / 1372) |
|---|---|
| Reported hazard statements | H314 (99.9%) |
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1372) of reports.
H314 (99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
3-Hexenoic acid is identified by CAS 1577-18-0, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII 9B3N069EDG; ChEBI 49285; InChIKey XXHDAWYDNSXJQM-ONEGZZNKSA-N.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-Hexenoic acid