4-Methylphenylacetaldehyde dimethyl acetal - CAS 42866-91-1
Catalog: |
BB025261 |
Product Name: |
4-Methylphenylacetaldehyde dimethyl acetal |
CAS: |
42866-91-1 |
Synonyms: |
1-(2,2-dimethoxyethyl)-4-methylbenzene |
IUPAC Name: | 1-(2,2-dimethoxyethyl)-4-methylbenzene |
Description: | 4-Methylphenylacetaldehyde dimethyl acetal (CAS# 42866-91-1 ) is a useful research chemical. |
Molecular Weight: | 180.24 |
Molecular Formula: | C11H16O2 |
Canonical SMILES: | CC1=CC=C(C=C1)CC(OC)OC |
InChI: | InChI=1S/C11H16O2/c1-9-4-6-10(7-5-9)8-11(12-2)13-3/h4-7,11H,8H2,1-3H3 |
InChI Key: | BQTOTVBOOGPLPR-UHFFFAOYSA-N |
Boiling Point: | 219.8 °C at 760 mmHg |
Flash Point: | 68.9°C |
Density: | 0.976 g/cm3 |
LogP: | 2.15640 |
Refractive Index: | 1.489 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20190140936-A | Tetrahydro-benzo [d] azepine Derivatives as GPR120 Modulators | 20170324 |
WO-2018145219-A1 | Pharmaceutical composition for preventing and treating addictions by means of aversive counterconditioning | 20170209 |
EP-1849836-B1 | Compound having polymethine-chain structure, image forming material, planographic printing plate precursor, and image forming method using the same, method of making planographic printing plate, and planographic printing method | 20060309 |
JP-2006206576-A | Method for producing acetals | 20041227 |
JP-4961723-B2 | Method for producing acetals | 20041227 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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