Benzaldehyde dimethyl acetal - CAS 1125-88-8
Catalog: |
BB003002 |
Product Name: |
Benzaldehyde dimethyl acetal |
CAS: |
1125-88-8 |
Synonyms: |
dimethoxymethylbenzene |
IUPAC Name: | dimethoxymethylbenzene |
Description: | Benzaldehyde dimethyl acetal (CAS# 1125-88-8) is used as a reagent in the synthesis of a new class of cinnamyl-triazole compounds which can be used as selective inhibitors of human aromatase (cytochrome P 450 19A1). |
Molecular Weight: | 152.19 |
Molecular Formula: | C9H12O2 |
Canonical SMILES: | COC(C1=CC=CC=C1)OC |
InChI: | InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3 |
InChI Key: | HEVMDQBCAHEHDY-UHFFFAOYSA-N |
Boiling Point: | 200.31 °C (EPI 4.0) |
Melting Point: | 87-89°C |
Flash Point: | 69°C |
Purity: | 98.0 % |
Density: | 1.014 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00008491 |
LogP: | 1.97800 |
Refractive Index: | 1.488 : 1.496 at 20 deg C |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H302 (99.68%): 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 |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
WO-2021108683-A1 | Covalent ras inhibitors and uses thereof | 20191127 |
US-2021146342-A1 | Process to prepare insoluble polymer abatement additives in styrene process streams by catalytic oxidation | 20191119 |
WO-2021102112-A1 | Process to prepare insoluble polymer abatement additives in styrene process streams by catalytic oxidation | 20191119 |
US-2021130326-A1 | Ras inhibitors | 20191104 |
PMID | Publication Date | Title | Journal |
22827503 | 20120817 | Syntheses of (-)-cryptocaryolone and (-)-cryptocaryolone diacetate via a diastereoselective oxy-Michael addition and oxocarbenium allylation | The Journal of organic chemistry |
22739244 | 20120801 | Influence of protecting groups on the anomeric equilibrium; case of the 4,6-O-benzylidene acetal in the mannopyranose series | Carbohydrate research |
22545899 | 20120509 | Pendant polymer:amino-β-cyclodextrin:siRNA guest:host nanoparticles as efficient vectors for gene silencing | Journal of the American Chemical Society |
22248345 | 20120223 | Contribution of phosphates and adenine to the potency of adenophostins at the IP₃ receptor: synthesis of all possible bisphosphates of adenophostin A | Journal of medicinal chemistry |
22158683 | 20111213 | Ring cleavage reactions of methyl α-D-allopyranoside derivatives with phenylboron dichloride and triethylsilane | Molecules (Basel, Switzerland) |
Complexity: | 93.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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