Basic information
- CAS
618069-93-5- Standard SMILES
CCCOC(=O)c1ccc(OC(=O)c2ccccc2C)cc1- InChIKey
MOAJXCIMOYPYAK-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- 4-(Propoxycarbonyl)phenyl 2-methylbenzoate
- IUPAC
- (4-propoxycarbonylphenyl) 2-methylbenzoate
- English name
- SALOR-INT L172324-1EA
- Molecular formula
- C18H18O4
- Molecular weight
- 298.33
Names & synonyms
4-(propoxycarbonyl)phenyl 2-methylbenzoateRefChem:516805618069-93-5632-739-5AKOS003451162SALOR-INT L172324-1EABenzoic acid, 2-methyl-, 4-(propoxycarbonyl)phenyl ester
Database identifiers
- CAS
618069-93-5- PubChem CID
- 3705877
- EC Number
- 632-739-5
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 436.4 · 436.4±38.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H317-H335-H410-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H315-H317-H335-H410-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
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
0 records
No reaction records under the current filter.
Compound notes
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