3-Methylcrotonic acid (CAS 541-47-9) — formula C5H8O2, molecular weight 100.05 g/mol; category food flavors.
3-Methylcrotonic acid (CAS 541-47-9) is a chemical raw material in the food flavors category. Its molecular formula C5H8O2 comprises 5 C, 8 H, 2 O atoms. Its molecular weight is about 100.05 g/mol. Reported physicochemical data: melting point around 65 °C, boiling point around 195.00 to 197.00 °C. @ 760.00 mm Hg, LogP about 1.2. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 541-47-9 |
|---|---|
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.05 g/mol |
| Melting Point | 65 °C |
| Boiling Point | 195.00 to 197.00 °C. @ 760.00 mm Hg |
| LogP | 1.2 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存 |
| Category | Flavors |
Documented applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
3-Methylcrotonic acid is a flavoring compound with CAS registry number 541-47-9 and molecular formula C5H8O2 (molecular weight 100.05 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 541-47-9
Its molecular formula C5H8O2 comprises 5 C, 8 H, 2 O atoms.
Also known as: 3-Methylcrotonic acid · 3,3-二甲基丙烯酸
Category: food flavors
The CAS registry number of 3-Methylcrotonic acid is 541-47-9.
Molecular formula C5H8O2, molecular weight 100.05 g/mol.
It is also registered under: 3-Methylcrotonic acid, 3,3-二甲基丙烯酸.
Recorded applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
Category: Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 3-Methylcrotonic acid (CAS 541-47-9), compiled from public chemistry databases.
| CAS Registry Number | 541-47-9 |
|---|---|
| PubChem CID | 10931 |
| Molecular formula | C5H8O2 |
| Molecular weight | 100.05 g/mol |
| IUPAC name | 3-methylbut-2-enoic acid |
| InChIKey | YYPNJNDODFVZLE-UHFFFAOYSA-N |
| UNII (FDA) | EKV8I38F9I |
| ChEBI ID | CHEBI:37127 |
| FEMA number | 3187 |
| JECFA number | 1204 |
| Molecular Weight | 100.12 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 100.052429494 |
| Monoisotopic Mass | 100.052429494 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 7 |
| Boiling Point | 195.00 to 197.00 °C. @ 760.00 mm Hg |
|---|---|
| Melting Point | 65 °C |
| Solubility | 10 mg/mL |
3,3-Dimethylacrylic acid; 541-47-9; Senecioic acid; 3-Methylcrotonic acid; 2-Butenoic acid, 3-methyl-; 3-METHYL-2-BUTENOIC ACID; beta,beta-Dimethylacrylic acid; beta,beta-Dimethacrylic acid; beta-Methylcrotonic acid; FEMA No. 3187; DTXSID2047145; EKV8I38F9I; DTXCID0027145; RefChem:25865; 208-782-7; 3-methylbut-2-enoic acid
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H314 (21.6%), H315 (78.4%), H318 (46.8%), H335 (78.4%) |
|---|
H314 (21.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H315 (78.4%): Causes skin irritation [Warning Skin corrosion/irritation]
3-Methylcrotonic acid is identified by CAS 541-47-9, molecular formula C5H8O2 and molecular weight 100.05 g/mol. UNII EKV8I38F9I; ChEBI 37127; InChIKey YYPNJNDODFVZLE-UHFFFAOYSA-N. Boiling Point: 195.00 to 197.00 °C. @ 760.00 mm Hg; Melting Point: 65 °C; Solubility: 10 mg/mL.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,3-二甲基丙烯酸