Basic information
- CAS
288154-98-3- Standard SMILES
CCOC(=O)c1ccc(SC)cc1OC- InChIKey
RLAOLSFGNWRDJW-UHFFFAOYSA-N- Molecular formula
- C11H14O3S
- Average molar mass
- 226.29 g/mol
- Monoisotopic mass
- 226.06636548
Names & identifiers
- Preferred name
- Ethyl 2-methoxy-4-(methylthio)benzoate
- IUPAC
- ethyl 2-methoxy-4-methylsulfanylbenzoate
- English name
- ethyl 2-methoxy-4-(methylsulfanyl)benzoate
- Molecular formula
- C11H14O3S
- Molecular weight
- 226.29206
Names & synonyms
ethyl 2-methoxy-4-(methylthio)benzoate288154-98-3RefChem:594440635-692-9TimTec1_000862HMS1536H04ethyl 2-methoxy-4-methylthiobenzoateMFCD02063029AKOS024275487NCGC00175043-01ST012410BRD-K51674642-001-01-7
Show more names
ethyl 2-methoxy-4-(methylsulfanyl)benzoate
Database identifiers
- CAS
288154-98-3- PubChem CID
- 720776
- EC Number
- 635-692-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H317
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H317
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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