Methyl o-methoxybenzoate (CAS 606-45-1) — formula C9H10O3, molecular weight 166.06 g/mol.
Methyl o-methoxybenzoate is a chemical compound with CAS registry number 606-45-1 and molecular formula C9H10O3 (molecular weight 166.06 g/mol).
CAS number: 606-45-1
Its molecular formula C9H10O3 comprises 9 C, 10 H, 3 O atoms.
Also known as: Methyl o-methoxybenzoate · methyl o-anisate
The CAS registry number of Methyl o-methoxybenzoate is 606-45-1.
Molecular formula C9H10O3, molecular weight 166.06 g/mol.
It is also registered under: Methyl o-methoxybenzoate, methyl o-anisate.
Public-database records for Methyl o-methoxybenzoate (CAS 606-45-1), reproduced here for independent cross-checking.
| GHS notification summary | 85.2% (236 / 277) |
|---|---|
| Reported hazard statements | H315 (14.8%), H319 (14.8%), H335 (14.4%) |
This chemical does not meet GHS hazard criteria for 85.2% (236 of 277) of all reports.
H315 (14.8%): Causes skin irritation [Warning Skin corrosion/irritation]
| 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 | 85.2% (236 / 277) |
| 沸点 | 254.00 to 255.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 246 °C |
| 熔点 | 48.00 to 49.00 °C. @ 760.00 mm Hg |
| 密度 | 1.144-1.160 |
| LogP | 2.04 |
| 折射率 | 1.529-1.537 |
| CAS Registry Number | 606-45-1 |
|---|---|
| PubChem CID | 61151 |
| 分子式 | C9H10O3 |
| 分子量 | 166.06 g/mol |
| IUPAC 名称 | methyl 2-methoxybenzoate |
| InChIKey | PFYHAAAQPNMZHO-UHFFFAOYSA-N |
| UNII（FDA） | SB18J2MCQL |
| ChEBI 编号 | CHEBI:173749 |
| FEMA 编号 | 2717 |
| JECFA 编号 | 880 |
Methyl 2-methoxybenzoate; 606-45-1; Methyl o-anisate; Dimethyl salicylate; Methyl o-methoxybenzoate; BENZOIC ACID, 2-METHOXY-, METHYL ESTER; Methoxy methylbenzoate, o-; FEMA No. 2717; UNII-SB18J2MCQL; methyl ortho-anisate; EINECS 210-118-6; DTXSID5047087; SB18J2MCQL; BRN 2207356; AI3-00680; O-Methoxy methylbenzoate
| 分子量 | 166.17 |
|---|---|
| XLogP3 | 2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 3 |
| 精确质量 | 166.062994177 |
| 单同位素质量 | 166.062994177 |
| 拓扑极性表面积 | 35.5 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
Methyl o-methoxybenzoate is identified by CAS 606-45-1, molecular formula C9H10O3 and molecular weight 166.06 g/mol. UNII SB18J2MCQL; ChEBI 173749; InChIKey PFYHAAAQPNMZHO-UHFFFAOYSA-N. 沸点: 254.00 to 255.00 °C. @ 760.00 mm Hg; 沸点: 246 °C; 熔点: 48.00 to 49.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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