Basic information
- CAS
40654-43-1- Standard SMILES
CCCCCCCCCCCCCCOc1cccc(C(=O)OC)c1- InChIKey
SLZPMAFMEORNOE-UHFFFAOYSA-N- Molecular formula
- C22H36O3
- Average molar mass
- 348.5 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(tetradecyloxy)benzoate
- IUPAC
- methyl 3-tetradecoxybenzoate
- English name
- Methyl 3-(tetradecyloxy)benzoate
- Molecular formula
- C22H36O3
- Molecular weight
- 348.52
Names & synonyms
Methyl 3-(tetradecyloxy)benzoateRefChem:81507840654-43-1653-221-5SCHEMBL9307081CHEMBL3273784SLZPMAFMEORNOE-UHFFFAOYSA-NAKOS0243340783-(tetradecyloxy)benzoic acid methyl esterBenzoic acid, 3-(tetradecyloxy)-, methyl ester
Database identifiers
- CAS
40654-43-1- PubChem CID
- 5152765
- ChEMBL
CHEMBL3273784- EC Number
- 653-221-5
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 47 · 47-48 °C
- Boiling point
- 442.1 · 442.1±18.0 °C(Predicted)
- Density
- 0.952 · 0.952±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
3 records
Compound notes
Loading…