Methyl p-tert-butylphenylacetate (CAS 3549-23-3) — formula C13H18O2, molecular weight 206.13 g/mol; category organic chemicals.
Methyl p-tert-butylphenylacetate (CAS 3549-23-3) is a organic chemicals. Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms. Its molecular weight is about 206.13 g/mol. Reported physicochemical data: boiling point around 106.00 to 107.00 °C. @ 2.00 mm Hg, LogP about 3.5. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. 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 | 3549-23-3 |
|---|---|
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.13 g/mol |
| Boiling Point | 106.00 to 107.00 °C. @ 2.00 mm Hg |
| LogP | 3.5 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. 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 | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. 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.
Methyl p-tert-butylphenylacetate is a carbon-based organic compound with CAS registry number 3549-23-3 and molecular formula C13H18O2 (molecular weight 206.13 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3549-23-3
Its molecular formula C13H18O2 comprises 13 C, 18 H, 2 O atoms.
Also known as: Methyl p-tert-butylphenylacetate · 对叔丁基苯乙酸甲酯
Category: organic chemicals / food flavors
The CAS registry number of Methyl p-tert-butylphenylacetate is 3549-23-3.
Molecular formula C13H18O2, molecular weight 206.13 g/mol.
It is also registered under: Methyl p-tert-butylphenylacetate, 对叔丁基苯乙酸甲酯.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. 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: Organic Chemicals / 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 Methyl p-tert-butylphenylacetate (CAS 3549-23-3), compiled from public chemistry databases.
| CAS Registry Number | 3549-23-3 |
|---|---|
| PubChem CID | 605629 |
| Molecular formula | C13H18O2 |
| Molecular weight | 206.13 g/mol |
| IUPAC name | methyl 2-(4-tert-butylphenyl)acetate |
| InChIKey | HXVTYMWVMVKVTF-UHFFFAOYSA-N |
| UNII (FDA) | 8A4H5QO9OJ |
| FEMA number | 2690 |
| JECFA number | 1025 |
| Molecular Weight | 206.28 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 206.130679813 |
| Monoisotopic Mass | 206.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 106.00 to 107.00 °C. @ 2.00 mm Hg |
|---|---|
| Boiling Point | 106 °C (2 mm Hg); 93 °C (1 mm Hg) |
| Density | 0.995-1.003 |
| Refractive Index | 1.494-1.504 |
3549-23-3; Methyl p-tert-butylphenylacetate; Methyl 4-tert-butylphenylacetate; methyl 2-(4-tert-butylphenyl)acetate; Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester; FEMA No. 2690; 8A4H5QO9OJ; Acetic acid, (p-tert-butylphenyl)-, methyl ester; DTXSID0063070; Methyl 4-(1,1-dimethylethyl)benzeneacetate; EINECS 222-602-4; METHYL 4-TERT-BUTYLBENZENEACETATE; METHYL P-TERT-BUTYLPHENYLACETATE [FHFI]; (4-TERT-BUTYLPHENYL)ACETIC ACID METHYL ESTER; RefChem:818012; DTXCID8039033
| 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 | 98.9% (91 / 92) |
| GHS notification summary | 98.9% (91 / 92) |
|---|
This chemical does not meet GHS hazard criteria for 98.9% (91 of 92) of all reports.
Reported as not meeting GHS hazard criteria by 91 of 92 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Methyl p-tert-butylphenylacetate is identified by CAS 3549-23-3, molecular formula C13H18O2 and molecular weight 206.13 g/mol. UNII 8A4H5QO9OJ; InChIKey HXVTYMWVMVKVTF-UHFFFAOYSA-N. Boiling Point: 106.00 to 107.00 °C. @ 2.00 mm Hg; Boiling Point: 106 °C (2 mm Hg); 93 °C (1 mm Hg); Density: 0.995-1.003.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 对叔丁基苯乙酸甲酯