Vanillin isobutyrate (CAS 20665-85-4) — formula C12H14O4, molecular weight 222.09 g/mol.
| CAS Number | 20665-85-4 |
|---|---|
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.09 g/mol |
| Boiling Point | 165.00 to 166.00 °C. @ 2.00 mm Hg |
| LogP | 2.1 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
Vanillin isobutyrate is a chemical compound with CAS registry number 20665-85-4 and molecular formula C12H14O4 (molecular weight 222.09 g/mol).
CAS number: 20665-85-4
Its molecular formula C12H14O4 comprises 12 C, 14 H, 4 O atoms.
Also known as: Vanillin isobutyrate · 异丁酸香兰酯
The CAS registry number of Vanillin isobutyrate is 20665-85-4.
Molecular formula C12H14O4, molecular weight 222.09 g/mol.
It is also registered under: Vanillin isobutyrate, 异丁酸香兰酯.
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 Vanillin isobutyrate (CAS 20665-85-4), compiled from public chemistry databases.
| CAS Registry Number | 20665-85-4 |
|---|---|
| PubChem CID | 539829 |
| Molecular formula | C12H14O4 |
| Molecular weight | 222.09 g/mol |
| IUPAC name | (4-formyl-2-methoxyphenyl) 2-methylpropanoate |
| InChIKey | BGKAKRUFBSTALK-UHFFFAOYSA-N |
| UNII (FDA) | C55654RCNR |
| ChEBI ID | CHEBI:168997 |
| FEMA number | 3754 |
| JECFA number | 891 |
| Molecular Weight | 222.24 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 222.08920892 |
| Monoisotopic Mass | 222.08920892 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 16 |
| Boiling Point | 165.00 to 166.00 °C. @ 2.00 mm Hg |
|---|---|
| Boiling Point | 130-132 °C (2 mm Hg) |
| Density | 1.110-1.136 |
| Refractive Index | 1.522-1.526 |
Vanillin isobutyrate; 4-Formyl-2-methoxyphenyl isobutyrate; Isobutavan; 4-Formyl-2-methoxyphenyl 2-methylpropanoate; Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester; Vanillyl isobutyrate; FEMA No. 3754; Isobutyric acid, ester with vanillin; DTXSID9047201; UNII-C55654RCNR; C55654RCNR; 3-Methoxy-4-isobutyrylbenzaldehyde; 4-Hydroxy-m-anisaldehyde isobutyrate; EINECS 243-956-6; 4-Isobutyroyloxy-3-methoxybenzaldehyde; VANILLIN, ISOBUTYRATE
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 99.9% (1565 / 1566) |
| GHS notification summary | 99.9% (1565 / 1566) |
|---|
This chemical does not meet GHS hazard criteria for > 99.9% (1565 of 1566) of all reports.
Reported as not meeting GHS hazard criteria by 1565 of 1566 companies (only < 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Vanillin isobutyrate is identified by CAS 20665-85-4, molecular formula C12H14O4 and molecular weight 222.09 g/mol. UNII C55654RCNR; ChEBI 168997; InChIKey BGKAKRUFBSTALK-UHFFFAOYSA-N. Boiling Point: 165.00 to 166.00 °C. @ 2.00 mm Hg; Boiling Point: 130-132 °C (2 mm Hg); Density: 1.110-1.136.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异丁酸香兰酯