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 food flavors. 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. Flavors are used to provide or enhance aroma in food and beverages, and must comply with food flavoring regulations. Widely used in beverages, confectionery, baking, dairy and convenience foods to build or complement flavor profiles. 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 | confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Flavors |
Documented applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
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: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
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