o-Tolyl isobutyrate (CAS 36438-54-7) — formula C11H14O2, molecular weight 178.10 g/mol.
| CAS Number | 36438-54-7 |
|---|---|
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.10 g/mol |
| Boiling Point | 107.00 to 108.00 °C. @ 8.00 mm Hg |
| LogP | 2.7 |
o-Tolyl isobutyrate is a chemical compound with CAS registry number 36438-54-7 and molecular formula C11H14O2 (molecular weight 178.10 g/mol).
CAS number: 36438-54-7
Its molecular formula C11H14O2 comprises 11 C, 14 H, 2 O atoms.
Also known as: o-Tolyl isobutyrate · Propanoic acid, 2-methyl-, 2-methylphenyl ester
The CAS registry number of o-Tolyl isobutyrate is 36438-54-7.
Molecular formula C11H14O2, molecular weight 178.10 g/mol.
It is also registered under: o-Tolyl isobutyrate, Propanoic acid, 2-methyl-, 2-methylphenyl ester.
Independent reference data for o-Tolyl isobutyrate (CAS 36438-54-7), compiled from public chemistry databases.
| CAS Registry Number | 36438-54-7 |
|---|---|
| PubChem CID | 61954 |
| Molecular formula | C11H14O2 |
| Molecular weight | 178.10 g/mol |
| IUPAC name | (2-methylphenyl) 2-methylpropanoate |
| InChIKey | FDJBDZVTTXWIQM-UHFFFAOYSA-N |
| UNII (FDA) | X2ORQ6I00S |
| ChEBI ID | CHEBI:173828 |
| FEMA number | 3753 |
| JECFA number | 700 |
| Molecular Weight | 178.23 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 178.099379685 |
| Monoisotopic Mass | 178.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 107.00 to 108.00 °C. @ 8.00 mm Hg |
|---|---|
| Boiling Point | 107 °C (8 mm Hg) |
| Density | 1.000-1.007 |
| Refractive Index | 1.482-1.488 |
o-Tolyl isobutyrate; 2-Methylphenyl 2-methylpropanoate; 36438-54-7; (2-methylphenyl) 2-methylpropanoate; o-cresyl isobutyrate; Cresyl isobutyrate, o-; Tolyl 2-methylpropanoate, o-; Methylphenyl isobutyrate, o-; FEMA No. 3753; Propanoic acid, 2-methyl-, 2-methylphenyl ester; O-Methylphenyl isobutyrate; UNII-X2ORQ6I00S; X2ORQ6I00S; AI3-21544; DTXSID30189958; O-TOLYL ISOBUTYRATE [FHFI]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 901-JECFA 55/44 |
|---|---|
| GHS notification summary | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
o-Tolyl isobutyrate is identified by CAS 36438-54-7, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII X2ORQ6I00S; ChEBI 173828; InChIKey FDJBDZVTTXWIQM-UHFFFAOYSA-N. Boiling Point: 107.00 to 108.00 °C. @ 8.00 mm Hg; Boiling Point: 107 °C (8 mm Hg); Density: 1.000-1.007.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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