Dimethyl 5-tert-butylisophthalate
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Basic information
- CAS
16308-65-9- Standard SMILES
COC(=O)c1cc(C(=O)OC)cc(C(C)(C)C)c1- InChIKey
GLEMMBGHLUCOIN-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- Dimethyl 5-tert-butylisophthalate
- IUPAC
- dimethyl 5-tert-butylbenzene-1,3-dicarboxylate
- English name
- 5-TERT-BUTYL METHYLISOPHTHALATE
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
16308-65-9Dimethyl 5-tert-butylisophthalateMethyl 5-tert-butyl-isophthalate diesterdimethyl 5-tert-butylbenzene-1,3-dicarboxylate1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, dimethyl esterMFCD002723241,3-DIMETHYL 5-TERT-BUTYLBENZENE-1,3-DICARBOXYLATE5-tert-Butyl-isophthalic acid dimethyl esterSCHEMBL546298dimethyl 5-t-butyl-isophthalateDimethyl5-tert-butylisophthalateDTXSID70346942
Show more names
5-Tetr-butyl methylisophthalate5-TERT-BUTYL METHYLISOPHTHALATEdimethyl5-tert-butylbenzene-1,3-dicarboxylate5-TERT-BUTYLBENZENE-1,3-BIS-METHYL CARBOXYLATEMethyl 5-tert-butyl-isophthalate diester, CAS 16308-65-91,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-, 1,3-dimethyl ester
Dimethyl 5-(tert-butyl)isophthalateDimethyl 5-tert-butylisophthalate #AKOS015960819AB22468AC-12323DB-091407
Database identifiers
- CAS
16308-65-9- PubChem CID
- 616620
- DTXSID
DTXSID70346942- Nikkaji
- J526.346H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 334.6 · 334.6±35.0 °C(Predicted)
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
7 records
Compound notes
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