Methyl 2,6-Dimethylbenzoate - CAS 14920-81-1
Catalog: |
BB010384 |
Product Name: |
Methyl 2,6-Dimethylbenzoate |
CAS: |
14920-81-1 |
Synonyms: |
2,6-dimethylbenzoic acid methyl ester; methyl 2,6-dimethylbenzoate |
IUPAC Name: | methyl 2,6-dimethylbenzoate |
Description: | Methyl 2,6-Dimethylbenzoate (CAS# 14920-81-1) is a useful research chemical. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC1=C(C(=CC=C1)C)C(=O)OC |
InChI: | InChI=1S/C10H12O2/c1-7-5-4-6-8(2)9(7)10(11)12-3/h4-6H,1-3H3 |
InChI Key: | XJMULMWDHLJUKP-UHFFFAOYSA-N |
Boiling Point: | 215.7 °C at 760 mmHg |
Density: | 1.027 g/cm3 |
Appearance: | Liquid |
LogP: | 2.09000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021205298-A1 | Compounds and methods for the treatment of covid-19 | 20200405 |
CN-111792990-A | Unsaturated ketone compound, preparation method and application thereof | 20190409 |
US-2020355673-A1 | Chemical probe-dependent evaluation of protein activity and uses thereof | 20171122 |
AU-2018336656-A1 | Small-molecule organic dyes | 20170829 |
CA-3074344-A1 | Small-molecule organic dyes | 20170829 |
Complexity: | 155 |
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: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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