Methyl 4-tert-butylbenzoate - CAS 26537-19-9
Catalog: |
BB019314 |
Product Name: |
Methyl 4-tert-butylbenzoate |
CAS: |
26537-19-9 |
Synonyms: |
methyl 4-tert-butylbenzoate |
IUPAC Name: | methyl 4-tert-butylbenzoate |
Description: | Methyl 4-tert-butylbenzoate (CAS# 26537-19-9 ) is a useful research chemical. |
Molecular Weight: | 192.25 |
Molecular Formula: | C12H16O2 |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)C(=O)OC |
InChI: | InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3 |
InChI Key: | UPIJOAFHOIWPLT-UHFFFAOYSA-N |
Boiling Point: | 122-124 °C (9 mmHg) |
Flash Point: | 114.1°C |
Purity: | 95 % |
Density: | 0.995 g/cm3 |
Appearance: | Clear colourless to yellow liquid |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008835 |
LogP: | 2.77070 |
Refractive Index: | 1.509-1.511 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H302+H312+H332 (89.29%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112679346-A | Method for catalytically synthesizing p-tert-butyl methyl benzoate based on eutectic solvent | 20210122 |
CN-112479171-A | Metal phosphate, preparation method thereof and application thereof in catalytic esterification reaction | 20201124 |
CN-111302937-A | Method for preparing p-tert-butyl methyl benzoate | 20200408 |
JP-2021130079-A | Liquid fixed quantity discharge device | 20200218 |
US-2021171512-A1 | Masp-2 inhibitors and methods of use | 20191204 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.115029749 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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