反式-2-甲基-2-戊烯酸（CAS 16957-70-3）：分子式 C6H10O2、分子量 114.14。
| CAS号 | 16957-70-3 |
|---|---|
| 分子式 | C6H10O2 |
| 分子量 | 114.14 |
| 沸点 | 123-125 °C (30 mm Hg) |
| LogP | 1.4 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Household Products: Information on 5 consumer products that contain 2-Methylpent-2-Enoic Acid in the following categories is provided:、• Auto Products、• Inside the Home、Information on 5 consumer products that contain Trans-2-Methylpent-2-Enoic Acid in the following categories is provided:、U.S. Production: 2023: 349 lb、2022: 16 lb、2021: 293 lb、2020: 319 lb、General Manufacturing Information: 2-Pentenoic acid、2-methyl-: ACTIVE、2-Pentenoic acid、2-methyl-、(2E)-: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Household Products: Information on 5 consumer products that contain 2-Methylpent-2-Enoic Acid in the following categories is provided:、• Auto Products、• Inside the Home、Information on 5 consumer products that contain Trans-2-Methylpent-2-Enoic Acid in the following categories is provided:、U.S. Production: 2023: 349 lb、2022: 16 lb、2021: 293 lb、2020: 319 lb、General Manufacturing Information: 2-Pentenoic acid、2-methyl-: ACTIVE、2-Pentenoic acid、2-methyl-、(2E)-: ACTIVE。
反式-2-甲基-2-戊烯酸 是一种化工化合物，登记 CAS 号为 16957-70-3，分子式 C6H10O2（分子量 114.14）。
登记 CAS 号：16957-70-3
其分子式 C6H10O2 由 6 个碳、10 个氢、2 个氧 组成。
别名/同义词：反式-2-甲基-2-戊烯酸 · 2-Methyl-2-Pentenoic Acid
反式-2-甲基-2-戊烯酸 的 CAS 登记号为 16957-70-3。
分子式 C6H10O2，分子量 114.14。
别名/同义词：反式-2-甲基-2-戊烯酸、2-Methyl-2-Pentenoic Acid。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Household Products: Information on 5 consumer products that contain 2-Methylpent-2-Enoic Acid in the following categories is provided:、• Auto Products、• Inside the Home、Information on 5 consumer products that contain Trans-2-Methylpent-2-Enoic Acid in the following categories is provided:、U.S. Production: 2023: 349 lb、2022: 16 lb、2021: 293 lb、2020: 319 lb、General Manufacturing Information: 2-Pentenoic acid、2-methyl-: ACTIVE、2-Pentenoic acid、2-methyl-、(2E)-: ACTIVE。
反式-2-甲基-2-戊烯酸（CAS 16957-70-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 16957-70-3 |
|---|---|
| PubChem CID | 5365909 |
| Molecular formula | C6H10O2 |
| Molecular weight | 114.07 g/mol |
| IUPAC name | (E)-2-methylpent-2-enoic acid |
| InChIKey | JJYWRQLLQAKNAD-SNAWJCMRSA-N |
| UNII (FDA) | 44I99E898B |
| ChEBI ID | CHEBI:173385 |
| FEMA number | 3195 |
| JECFA number | 1210 |
| Molecular Weight | 114.14 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 114.068079557 |
| Monoisotopic Mass | 114.068079557 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 8 |
| Boiling Point | 123-125 °C (30 mm Hg) |
|---|---|
| Density | 0.976-0.982 |
| Refractive Index | 1.450-1.460 |
2-METHYL-2-PENTENOIC ACID; 16957-70-3; trans-2-Methyl-2-pentenoic acid; (E)-2-methylpent-2-enoic acid; 3142-72-1; (E)-2-methyl-2-pentenoic acid; (2E)-2-methylpent-2-enoic acid; FEMA No. 3195; 2-Pentenoic acid, 2-methyl-, (E)-; 2-Pentenoic acid, 2-methyl-, (2E)-; 2-Pentenoic acid, 2-methyl-; 44I99E898B; MFCD00002655; (E)-2-Methylpent-2-en-1-oic acid; 2-Pentene-2-carboxylicacid; (2E)-2-Methyl-2-pentenoic acid
| 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 |
|---|
| Reported hazard statements | H314 (100%), H318 (68.8%) |
|---|
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (68.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
2-Methyl-2-Pentenoic Acid is identified by CAS 16957-70-3, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII 44I99E898B; ChEBI 173385; InChIKey JJYWRQLLQAKNAD-SNAWJCMRSA-N. Boiling Point: 123-125 °C (30 mm Hg); Density: 0.976-0.982; Refractive Index: 1.450-1.460.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Methyl-2-Pentenoic Acid