Ethyl 4-methylbenzoate - CAS 94-08-6
Catalog: |
BB041183 |
Product Name: |
Ethyl 4-methylbenzoate |
CAS: |
94-08-6 |
Synonyms: |
ethyl 4-methylbenzoate |
IUPAC Name: | ethyl 4-methylbenzoate |
Description: | Ethyl 4-methylbenzoate (CAS# 94-08-6) is an impurity of Favipiravir (F103350), which is used for the treatment of advanced Ebola virus infection in a small animal model. Favipiravir suppressed the replication of Zaire Ebola virus and prevented a lethal outcome in 100% of the animals. Based on the studies, Favipiravir can be a candidate for the treatment of Ebola hemorrhagic fever. It is a COVID19-related research product. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)C |
InChI: | InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
InChI Key: | NWPWRAWAUYIELB-UHFFFAOYSA-N |
Boiling Point: | 235.7 °C at 760 mmHg |
Flash Point: | 99.4°C |
Purity: | 95 % |
Density: | 1.025 g/cm3 |
Appearance: | Colorless or yellowish liquid |
MDL: | MFCD00009117 |
LogP: | 2.17170 |
Refractive Index: | n20/D 1.508(lit.) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113416477-A | Photosensitive phytic acid doped polyaniline-based ultraviolet-curing anticorrosive paint and preparation method thereof | 20210702 |
CN-113324736-A | Refractive index matching fluid and optical detection method of glass | 20210527 |
CN-111848845-A | Catalyst for preparing low-entanglement ultrahigh molecular weight polyethylene and preparation method thereof | 20200703 |
CN-211837500-U | Agitating unit is used in preparation of methyl ethyl benzoate | 20200329 |
WO-2021182431-A1 | Highly purified tin-containing perovskite semiconductor material | 20200309 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS