HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3015807Generated: October 23, 2026
Methyl 4-(1-methylethoxy)benzoate
RARECHEM AL BF 0294 · Safinamide Impurity 45 · METHYL 4-ISOPROPOXYBENZOATE · METHYL P-ISOPROPOXYBENZOATE · Methyl4-Isopropoxybenzoate>METHYL 4-ISO-PROPYLOXYBENZOATE · methyl 4-propan-2-yloxybenzoate · methyl 4-(1-methylethoxy)benzoate · 4-Isopropoxybenzoic acid methyl ester
https://huagongshe.com/en/chemical/3015807
Identifiers & Physical Properties
| CAS No. | 35826-59-6 |
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| Molecular formula | C11H14O3 |
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| Average molar mass | 194.23 g/mol |
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| Monoisotopic mass | 194.09429431 g/mol |
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| SMILES | COC(=O)c1ccc(OC(C)C)cc1 |
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| InChIKey | ROEMZKPINYTSKV-UHFFFAOYSA-N |
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| PubChem CID | 3015807 |
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| EC No. | 252-740-0 |
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| DTXSID | DTXSID20189361 |
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Chemical & Physical Properties
| XLogP | 3.1 |
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| Topological polar surface area | 35.5 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 181 |
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| Refractive index | 1.5210-1.5250 |
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| Storage conditions | Sealed in dry,Room Temperature |
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| Physical state | clear liquid |
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| Color | Colorless to Almost colorless |
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| FDA UNII | ECL9D55WCF |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H302-H335-H227-H319 |
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| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P |
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| Customs code | 2918999090 |
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Safety & Regulations
| GHS classification | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Flam. Liq. 4 (100%) |
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| Customs code | 2918999090 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H315-H302-H335-H227-H319 |
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| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P |
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