3-Methylphenylacetaldehyde dimethyl acetal - CAS 134769-80-5
Catalog: |
BB008008 |
Product Name: |
3-Methylphenylacetaldehyde dimethyl acetal |
CAS: |
134769-80-5 |
Synonyms: |
1-(2,2-dimethoxyethyl)-3-methylbenzene |
IUPAC Name: | 1-(2,2-dimethoxyethyl)-3-methylbenzene |
Description: | 3-Methylphenylacetaldehyde dimethyl acetal (CAS# 134769-80-5 ) is a useful research chemical. |
Molecular Weight: | 180.24 |
Molecular Formula: | C11H16O2 |
Canonical SMILES: | CC1=CC(=CC=C1)CC(OC)OC |
InChI: | InChI=1S/C11H16O2/c1-9-5-4-6-10(7-9)8-11(12-2)13-3/h4-7,11H,8H2,1-3H3 |
InChI Key: | YUQCSJRITDBZLT-UHFFFAOYSA-N |
LogP: | 2.15640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-H06211721-A | Method for purifying 2-arylacetaldehyde acetal | 19921015 |
JP-3447325-B2 | Method for producing 2-aryl-ethanol | 19920626 |
JP-H0672930-A | Method for producing 2-aryl-ethanol | 19920626 |
Complexity: | 132 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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