Formic acid, 4-methylphenyl ester
Basic information
- CAS
1864-97-7- Standard SMILES
Cc1ccc(OC=O)cc1- InChIKey
NEIANUMOAXBNRT-UHFFFAOYSA-N- Molecular formula
- C8H8O2
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.05242949
Names & identifiers
- Preferred name
- Formic acid, 4-methylphenyl ester
- IUPAC
- (4-methylphenyl) formate
- English name
- 4-methylphenyl formate
- Molecular formula
- C8H8O2
- Molecular weight
- 136.15
Names & synonyms
Formic acid, 4-methylphenyl ester1864-97-7EINECS 217-472-0DTXSID3062025RefChem:600280DTXCID30358904-Methylphenyl formate(4-methylphenyl) formatep-Cresyl formatep-tolyl formatepara-cresyl formateSHP5D66GEM
Show more names
Formic acid 4-methylphenyl ester
SCHEMBL95901SCHEMBL95902NEIANUMOAXBNRT-UHFFFAOYSA-NNS00026103Q63409855
Database identifiers
- CAS
1864-97-7- PubChem CID
- 74627
- DTXSID
DTXSID3062025- UNII
- SHP5D66GEM
- EC Number
- 217-472-0
- Nikkaji
- J183.093G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 112 °C · 112 °C
- Boiling point
- 107 °C · 107 °C(Press: 30 Torr)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- Odor
- Lily-Jasmin-Lilac type odor
- Water Solubility
- Very slightly soluble in water
- LogP
- 1.696 · 1.696 (est)
- EPA Substance Registry System
- 4 · Formic acid, 4-methylphenyl ester (1864-97-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Formic acid, 4-methylphenyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationFormic acid, 4-methylphenyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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